data_5gwg_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5gwg _Structure_validation_residue.Date_analyzed 2017-04-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.953 0.406 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' NH2' ' CZ ' ' A' ' 4' ' ' ARG . 17.6 ptm180 -150.18 159.8 44.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.367 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.5 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 23.5 t -128.85 129.04 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' CZ ' ' NH2' ' A' ' 2' ' ' ARG . 39.8 ttm180 -170.63 144.79 2.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.167 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.39 -165.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.656 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.5 p -142.53 74.28 1.44 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.792 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.55 HD13 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -150.84 -96.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.273 0.559 . . . . 0.0 112.276 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' H ' HD13 ' A' ' 7' ' ' LEU . 2.0 tt0 -113.81 123.16 49.16 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -116.46 117.43 29.9 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.947 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -124.27 145.36 49.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.71 153.02 48.58 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 18' ' ' THR . 7.7 ttm180 -138.73 141.42 38.89 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.42 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.77 139.91 31.47 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.452 0.644 . . . . 0.0 111.239 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' A' ' 16' ' ' ARG . 14.0 p 179.7 69.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 113.963 -1.472 . . . . 0.0 110.905 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 4.9 t 67.08 -11.48 0.27 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.452 0.168 . . . . 0.0 110.657 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 174.89 32.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.745 0.783 . . . . 0.0 111.236 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 12' ' ' ARG . 10.7 t-20 65.09 153.92 0.06 Allowed 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.29 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -114.58 157.14 23.44 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 t -115.68 115.85 27.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 124.443 1.09 . . . . 0.0 111.457 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -132.98 120.03 20.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 2.6 m -118.14 119.67 35.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -158.43 155.36 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 111.228 -178.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.75 -37.35 82.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.206 0.527 . . . . 0.0 110.981 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 26' ' ' ARG . 88.7 mt -111.89 137.01 50.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.994 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 m -71.99 41.65 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 24' ' ' LEU . 36.7 ptt-85 -76.07 162.98 27.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.469 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -69.1 97.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -64.66 -44.14 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.644 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.424 ' OH ' ' OG1' ' A' ' 18' ' ' THR . 53.3 p90 -149.23 159.57 44.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 -19.42 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.759 -179.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 52.17 -164.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.694 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 t -82.36 111.94 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.491 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -134.31 173.5 11.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.759 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.567 ' O ' ' OG1' ' B' ' 46' ' ' THR . 0.0 OUTLIER -121.31 160.35 24.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.15 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.567 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 8.4 p 86.14 21.26 0.08 Allowed 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 124.951 1.407 . . . . 0.0 110.363 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.42 -109.26 0.19 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.269 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.459 ' NE2' ' N ' ' B' ' 49' ' ' CYS . 0.0 OUTLIER -120.93 136.73 54.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 7.8 t -117.73 117.39 29.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.314 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -132.23 154.95 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.3 m -139.65 160.29 40.22 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.434 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' B' ' 58' ' ' THR . 9.1 ptm180 -151.84 150.22 29.87 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.34 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -63.26 144.99 56.46 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.159 0.505 . . . . 0.0 111.217 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.593 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 10.9 p -176.31 48.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' B' ' 54' ' ' VAL . 0.8 OUTLIER 90.83 -16.04 0.21 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.1 OUTLIER 175.66 40.64 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.584 -178.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' B' ' 56' ' ' ARG . 9.2 t-20 59.96 143.27 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.875 0.845 . . . . 0.0 110.792 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.466 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.3 OUTLIER -116.29 160.19 20.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.679 178.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 t -112.08 111.96 23.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 124.962 1.414 . . . . 0.0 110.236 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 51.0 m -130.81 108.51 9.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.757 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 69.9 m -122.18 127.97 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' B' ' 48' ' ' GLN . 1.1 pp -154.58 173.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.529 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -95.22 20.2 9.55 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 94.4 mt 59.25 -161.47 0.26 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 74.33 0.54 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.605 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -135.24 156.88 48.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.277 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -86.3 109.63 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.275 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.515 ' O ' ' N ' ' B' ' 70' ' ' ALA . 0.1 OUTLIER -124.82 99.87 6.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 61.78 -70.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.415 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 68' ' ' THR . . . 60.88 77.26 0.33 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.106 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.546 179.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.77 0.319 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.589 ' HE ' ' CA ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -68.51 157.89 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.504 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -23.42 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.076 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.449 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 175.16 -164.36 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.449 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 14.0 mmp_? -99.9 -115.23 0.16 Allowed 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 7' ' ' LEU . 40.3 p -101.52 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.981 0.42 . . . . 0.0 111.425 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 18.99 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.625 178.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -136.09 136.26 40.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -120.96 121.02 37.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.872 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.0 m -136.26 146.07 46.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.071 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -132.8 160.04 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 29' ' ' TYR . 22.6 ptt180 -148.4 146.07 28.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.512 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -54.61 147.92 13.45 Favored 'General case' 0 CA--C 1.515 -0.371 0 O-C-N 123.45 0.469 . . . . 0.0 110.864 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 16' ' ' ARG . 4.9 p 176.35 59.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.816 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 76.66 -15.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.948 0.404 . . . . 0.0 110.304 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 178.68 33.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.972 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 16' ' ' ARG . 20.8 m120 58.62 147.06 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 156.58 23.98 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -110.84 112.05 23.63 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.092 1.495 . . . . 0.0 110.809 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -131.56 107.64 9.0 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.993 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -119.35 121.61 39.96 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pp -152.19 161.97 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.241 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -94.69 1.87 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.181 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.05 122.77 47.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.135 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.4 m -67.23 -39.15 86.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.284 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -61.67 -40.55 95.34 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.713 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -94.65 120.7 35.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -129.9 -15.1 3.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 12' ' ' ARG . 77.5 t80 -144.25 137.43 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.33 153.36 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 5.1 tpp85 77.25 -147.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.506 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 42.3 t -73.82 109.92 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.124 0.488 . . . . 0.0 110.452 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -111.18 -141.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.67 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -92.2 -138.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.881 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.476 ' O ' ' C ' ' B' ' 47' ' ' LEU . 75.4 p -73.74 -66.8 0.66 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 123.257 0.623 . . . . 0.0 112.44 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.503 ' CG ' ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER 18.0 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.185 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.503 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 1.6 tm0? -136.64 139.94 42.41 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.468 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 40.5 t -118.27 127.11 53.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.989 -177.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -132.67 146.7 52.08 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.212 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.5 m -141.46 159.05 43.02 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.163 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.438 ' NE ' ' CZ ' ' B' ' 69' ' ' TYR . 16.0 ptt85 -154.52 142.3 20.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.395 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.409 ' O ' ' HB ' ' B' ' 54' ' ' VAL . 56.0 ttp180 -54.25 150.92 7.88 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 123.613 0.57 . . . . 0.0 111.36 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.651 ' C ' ' H ' ' B' ' 56' ' ' ARG . 4.7 p 171.47 78.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.817 1.323 . . . . 0.0 110.844 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.1 OUTLIER 64.19 -12.35 0.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 O-C-N 121.484 -0.76 . . . . 0.0 110.705 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' B' ' 54' ' ' VAL . 1.7 mtt180 169.86 23.19 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.255 1.026 . . . . 0.0 110.657 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 17' ' ' ASN . 1.3 t30 65.41 150.02 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.474 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 161.2 19.3 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.279 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 21.6 t -115.36 132.29 56.66 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 124.833 1.333 . . . . 0.0 110.67 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 77.3 p -152.11 113.74 4.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.025 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 74.4 m -117.17 126.08 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -159.56 153.31 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 123.992 0.808 . . . . 0.0 111.225 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -81.79 -2.19 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.924 0.392 . . . . 0.0 111.068 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.31 -178.68 5.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -89.04 40.98 1.01 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.577 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 67' ' ' SER . 32.9 mtm105 61.99 -146.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 1.9 p 75.62 11.89 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.9 m -60.95 -46.42 90.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.438 ' CZ ' ' NE ' ' B' ' 52' ' ' ARG . 12.5 p90 -150.18 -7.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.15 93.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.611 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -120.92 133.84 55.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.207 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 23.8 t -129.07 123.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.057 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -169.7 104.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.083 0.468 . . . . 0.0 110.203 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -152.83 -154.67 0.55 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.922 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -143.67 80.72 1.67 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.954 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -91.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.01 131.77 54.17 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.1 t -119.67 124.66 46.82 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.9 p -148.24 159.29 44.13 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.18 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -119.53 158.46 26.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.427 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' THR . 7.0 ttm180 -136.7 130.71 32.51 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -57.87 140.79 51.12 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.797 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 7.7 p 176.69 60.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-N 113.995 -1.457 . . . . 0.0 111.259 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' O ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 86.56 -20.02 0.25 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.929 -0.482 . . . . 0.0 110.273 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' O ' ' O ' ' A' ' 17' ' ' ASN . 2.1 mtt180 175.18 39.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.471 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.533 ' O ' ' O ' ' A' ' 16' ' ' ARG . 15.1 m120 56.63 147.89 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.898 0.856 . . . . 0.0 110.708 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.648 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -117.39 163.02 16.99 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.365 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 24.7 t -110.16 111.3 22.55 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.701 0.762 . . . . 0.0 111.55 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -133.3 119.59 19.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 94.5 m -121.42 127.2 50.9 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -158.77 152.66 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 121.185 0.516 . . . . 0.0 111.733 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -75.77 -17.0 60.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.15 140.13 51.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.947 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -95.65 9.62 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptm85 -57.69 -28.38 63.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 p -158.65 90.8 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.154 0.502 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.9 p -68.4 -38.39 81.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.654 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -159.29 134.75 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.679 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.29 151.65 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 55.24 37.92 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.23 -14.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -70.97 131.02 43.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -157.53 -178.14 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.4 p -142.7 74.94 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.536 HD13 ' H ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -156.28 -87.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.255 0.55 . . . . 0.0 112.453 -178.532 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.536 ' H ' HD13 ' B' ' 47' ' ' LEU . 7.1 tt0 -117.93 127.95 54.33 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -118.11 125.41 50.22 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.132 0.895 . . . . 0.0 112.787 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.8 m -135.51 152.85 51.73 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.873 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 8.6 m -129.86 149.84 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.587 ' NH1' ' CG ' ' B' ' 69' ' ' TYR . 10.4 ttt180 -132.91 139.52 47.41 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.25 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -55.02 140.02 39.14 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.67 0.747 . . . . 0.0 111.939 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.603 ' C ' ' H ' ' B' ' 56' ' ' ARG . 14.5 p -179.46 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.492 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 8.0 t 65.42 -11.96 0.16 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.575 0.226 . . . . 0.0 110.559 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 176.85 36.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.546 0.688 . . . . 0.0 111.988 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' B' ' 56' ' ' ARG . 0.1 OUTLIER 61.23 148.35 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.27 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.547 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -116.64 167.22 11.27 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.712 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.432 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 52.5 m -109.15 115.07 29.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 124.285 0.99 . . . . 0.0 111.771 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -131.06 107.02 8.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 66.4 m -122.92 133.41 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.36 149.96 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.872 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -71.6 -40.09 70.07 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.213 0.53 . . . . 0.0 111.269 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.769 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -60.85 -30.64 70.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -74.14 146.89 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t 72.33 98.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.864 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.1 p -117.4 -15.96 10.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.587 ' CG ' ' NH1' ' B' ' 52' ' ' ARG . 89.2 t80 -142.93 133.81 25.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.584 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.58 43.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.644 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.696 0.284 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 21' ' ' CYS . 12.4 tpp180 53.02 62.82 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.494 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 7.4 p -107.8 51.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.21 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.601 ' NH2' ' NH1' ' A' ' 5' ' ' ARG . 29.0 ttp180 -169.53 -138.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.002 0.43 . . . . 0.0 110.368 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' NH1' ' NH2' ' A' ' 4' ' ' ARG . 87.0 mmt-85 63.35 -135.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.502 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.718 ' HG1' ' H ' ' A' ' 7' ' ' LEU . 32.8 p -137.55 -71.99 0.43 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.687 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.718 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER 12.55 -99.02 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -126.44 135.07 50.92 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 12.0 t -118.64 121.86 41.17 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 124.032 0.833 . . . . 0.0 113.186 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -127.08 142.13 51.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.259 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.74 159.0 43.13 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 9.3 ptm85 -147.65 144.08 28.13 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.476 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.99 147.05 20.71 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.791 0.682 . . . . 0.0 112.611 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' C ' ' H ' ' A' ' 16' ' ' ARG . 3.4 p 175.72 66.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.455 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 73.67 -17.98 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.667 -0.646 . . . . 0.0 110.246 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER 179.8 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.594 0.711 . . . . 0.0 110.794 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 12' ' ' ARG . 10.2 t-20 66.27 151.47 0.06 Allowed 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.849 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.65 159.07 22.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.391 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.61 130.9 56.3 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 124.483 1.114 . . . . 0.0 112.063 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -151.03 111.21 4.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.895 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' ARG . 74.7 m -118.34 128.06 54.29 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -156.47 165.94 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.738 -177.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -80.95 -11.04 59.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.71 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -121.92 120.45 34.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.9 m -62.01 -40.14 94.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.953 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -66.31 143.19 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t 57.95 108.49 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.709 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -133.02 -99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -60.41 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.04 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.84 133.67 52.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.501 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.769 0.319 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' VAL . 44.8 ttm180 -64.56 135.0 55.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.52 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' B' ' 42' ' ' ARG . 2.7 t 53.69 106.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.204 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -133.52 168.3 18.89 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.634 ' CD ' ' H ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -114.95 159.01 21.24 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.85 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.57 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 11.5 p 84.56 29.0 0.06 Allowed 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 124.944 1.403 . . . . 0.0 110.668 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.18 -97.4 0.12 Allowed 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.297 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -135.08 138.63 44.02 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 21.1 t -118.75 131.95 56.13 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 123.85 0.719 . . . . 0.0 112.52 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 60' ' ' SER . 97.6 p -145.37 153.09 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.713 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.8 m -140.93 158.56 43.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 20.9 ptp180 -150.19 143.37 24.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.715 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -54.8 146.87 16.16 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.546 ' C ' ' H ' ' B' ' 56' ' ' ARG . 3.8 p 175.95 66.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.63 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.07 -15.57 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.627 -0.671 . . . . 0.0 110.29 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.5 OUTLIER 176.8 27.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 121.598 0.713 . . . . 0.0 110.702 -179.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 52' ' ' ARG . 11.6 t-20 65.01 151.49 0.05 OUTLIER 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.035 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -116.16 159.82 21.24 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.425 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 11.7 t -113.53 115.7 28.38 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 124.558 1.161 . . . . 0.0 110.463 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' B' ' 50' ' ' SER . 70.4 m -130.33 107.77 9.51 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.913 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 66.3 m -121.83 124.52 44.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pp -156.05 166.16 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.068 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -77.84 -1.17 30.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 110.147 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -95.65 172.45 8.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.062 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.7 p -65.24 -43.83 90.13 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.282 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 173.04 31.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.244 0.34 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 74.1 m -94.7 90.92 6.28 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.202 0.525 . . . . 0.0 110.787 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.43 ' O ' ' O ' ' B' ' 69' ' ' TYR . 9.6 t -168.94 115.16 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.559 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' B' ' 68' ' ' THR . 85.4 t80 57.68 151.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.691 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.9 30.38 19.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.548 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -101.58 17.87 21.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.512 ' CG1' ' SG ' ' A' ' 21' ' ' CYS . 63.7 t -115.78 121.27 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.963 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -112.21 -163.42 0.85 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.775 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.528 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -143.23 173.12 11.87 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.528 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 10.0 p 84.08 34.6 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 124.845 1.341 . . . . 0.0 111.323 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -149.93 -103.48 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.281 -179.276 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' H ' HD13 ' A' ' 7' ' ' LEU . 3.0 tm0? -129.05 140.82 51.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' N ' ' OE1' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -118.71 133.16 56.05 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.5 p -142.69 157.0 45.11 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.821 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -134.76 153.37 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.936 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' THR . 50.4 ptt85 -146.04 146.75 31.07 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.481 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -54.18 145.06 18.19 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.565 0.698 . . . . 0.0 112.613 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 14' ' ' VAL . 8.9 p -177.47 51.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.236 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 77.84 -14.22 0.87 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 121.618 -0.676 . . . . 0.0 109.351 -178.216 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -179.45 38.24 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.405 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.729 HD22 ' H ' ' B' ' 59' ' ' CYS . 0.1 OUTLIER 60.11 143.34 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.119 -179.452 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -117.05 165.09 13.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.19 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 58' ' ' THR . 47.4 t -109.88 127.84 54.97 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.568 1.168 . . . . 0.0 111.305 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.7 p -146.07 110.69 5.14 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.855 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' SG ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -118.18 126.72 52.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.98 172.34 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.337 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -96.38 50.51 1.15 Allowed 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 25' ' ' SER . 57.3 mt 67.28 -157.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.43 1.081 . . . . 0.0 110.863 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 79.23 11.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.877 -179.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 37.75 -137.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.5 p 49.03 66.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.859 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -124.85 115.07 20.07 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 109.977 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' CD2' ' CZ ' ' A' ' 12' ' ' ARG . 77.1 t80 37.53 81.47 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.98 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.26 155.03 37.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.763 0.316 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.09 144.46 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.18 54.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.596 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 73.21 160.66 0.24 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.54 ' O ' ' OG1' ' B' ' 46' ' ' THR . 23.4 ptt180 -161.88 164.66 28.51 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.414 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.54 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 15.5 p 84.47 33.35 0.04 OUTLIER 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.827 1.33 . . . . 0.0 111.387 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.15 -98.29 0.07 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.587 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -127.3 137.64 52.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 7.2 t -118.17 125.61 50.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.518 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' B' ' 60' ' ' SER . 94.9 p -133.06 153.82 51.13 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.734 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.5 m -129.49 149.36 51.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' B' ' 58' ' ' THR . 15.4 ttt180 -136.48 150.05 48.5 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.816 0.341 . . . . 0.0 110.544 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' B' ' 54' ' ' VAL . 5.0 tpt180 -74.97 146.25 41.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.52 0.676 . . . . 0.0 111.68 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.431 HG11 ' O ' ' B' ' 54' ' ' VAL . 3.8 p -177.7 67.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 80.84 -5.41 1.71 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.546 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER 179.15 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.906 0.86 . . . . 0.0 110.789 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' B' ' 56' ' ' ARG . 0.4 OUTLIER 171.83 154.78 0.08 Allowed 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.173 -178.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.611 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -126.34 155.87 41.35 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.729 ' H ' HD22 ' A' ' 17' ' ' ASN . 45.6 t -113.27 122.04 46.24 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 123.943 0.777 . . . . 0.0 111.578 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' B' ' 50' ' ' SER . 78.4 p -142.04 110.51 6.07 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.175 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 68.2 m -118.02 127.75 54.12 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -156.86 154.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.471 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -91.37 4.51 52.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 84.2 mt -111.84 138.34 48.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 85.9 p -76.69 -10.73 59.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -66.39 158.48 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.105 0.479 . . . . 0.0 110.998 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -48.66 119.73 3.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.45 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' B' ' 69' ' ' TYR . 14.5 t -79.65 -45.87 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.942 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.471 ' N ' ' CG2' ' B' ' 68' ' ' THR . 72.9 t80 -139.07 129.83 26.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.683 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.457 ' CB ' HH12 ' B' ' 52' ' ' ARG . . . 65.54 -170.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.537 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.695 0.283 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -133.74 133.4 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.9 117.46 54.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.187 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 47.8 ttt180 -172.1 -137.34 0.02 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.441 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 93.9 mtt-85 62.74 -136.56 0.43 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.248 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LEU . 25.4 p -135.04 -73.09 0.47 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.54 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 16.73 -98.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -125.58 135.82 52.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.76 120.59 32.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.416 1.073 . . . . 0.0 112.732 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.543 ' CB ' HH12 ' B' ' 42' ' ' ARG . 64.7 m -130.04 146.95 51.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.838 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.05 158.83 41.77 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.59 HH22 ' CB ' ' A' ' 20' ' ' SER . 9.4 ptp85 -149.54 143.09 25.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.478 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -55.64 149.33 14.3 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 111.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.547 ' C ' ' H ' ' A' ' 16' ' ' ARG . 3.9 p 173.28 68.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 124.698 1.249 . . . . 0.0 111.509 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.66 -16.0 0.47 Allowed 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.542 -0.723 . . . . 0.0 110.632 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 177.55 15.83 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.288 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t-20 76.64 150.23 0.11 Allowed 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.366 -178.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.33 159.86 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.687 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.89 127.74 56.11 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.577 1.173 . . . . 0.0 111.075 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.59 ' CB ' HH22 ' A' ' 12' ' ' ARG . 40.8 p -142.82 107.92 4.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.146 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.29 124.39 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pp -158.51 169.99 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.483 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -91.62 4.98 51.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 110.272 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 4.2 mm? -97.88 126.66 43.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.8 p -70.11 -19.56 63.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.25 152.74 43.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.087 0.47 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.3 t -87.77 109.44 19.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.6 m -110.06 104.67 13.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 30' ' ' ALA . 48.4 t80 -123.18 130.53 52.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . -63.94 144.49 57.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.618 0.247 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.543 HH12 ' CB ' ' A' ' 10' ' ' SER . 95.5 mtt-85 -113.78 130.99 56.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.28 -41.22 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.402 ' HD3' ' H ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -157.15 -166.52 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.402 ' H ' ' HD3' ' B' ' 44' ' ' ARG . 76.2 mtp85 -89.05 -109.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.442 ' O ' ' C ' ' B' ' 47' ' ' LEU . 15.2 p -115.85 -62.45 1.59 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.768 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 18.16 -99.26 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 179.129 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' B' ' 49' ' ' CYS . 1.8 tm0? -124.62 144.11 50.35 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.524 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 42.6 t -118.15 125.32 50.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.837 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' B' ' 60' ' ' SER . 46.6 m -135.81 139.04 43.18 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.598 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.512 ' CB ' HD22 ' B' ' 57' ' ' ASN . 2.6 m -134.76 159.73 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.563 ' CG ' ' HG1' ' B' ' 58' ' ' THR . 9.6 ptp85 -151.69 146.56 25.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.878 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 67.8 ttt180 -55.05 151.49 8.94 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.683 0.614 . . . . 0.0 111.808 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.626 ' C ' ' H ' ' B' ' 56' ' ' ARG . 3.4 p 171.02 68.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.736 1.273 . . . . 0.0 111.568 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 70.45 -23.1 0.17 Allowed 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.779 -0.575 . . . . 0.0 110.48 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.626 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -175.66 31.22 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.523 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.512 HD22 ' CB ' ' B' ' 51' ' ' CYS . 19.4 t-20 58.52 149.97 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.077 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.563 ' HG1' ' CG ' ' B' ' 52' ' ' ARG . 0.1 OUTLIER -115.74 160.89 19.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.116 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 17.0 t -112.58 115.48 28.68 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.607 1.192 . . . . 0.0 111.486 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.562 ' CB ' HH22 ' B' ' 52' ' ' ARG . 57.3 m -132.0 109.44 10.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.803 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -117.45 124.35 48.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -158.34 150.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.158 -177.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -79.53 -19.35 49.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.962 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -142.85 -130.14 0.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m 48.63 55.65 8.75 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.071 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -48.45 -19.97 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.454 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -129.22 110.76 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.0 t -147.41 102.74 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' B' ' 70' ' ' ALA . 55.8 t80 -151.03 133.96 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.966 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.42 ' O ' ' CE2' ' B' ' 69' ' ' TYR . . . -63.91 142.0 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.627 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.842 0.353 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 55.42 44.37 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.54 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -67.46 121.84 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 110.487 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 99.5 mtt180 -124.51 -167.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.419 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.604 ' C ' ' HG1' ' A' ' 6' ' ' THR . 14.0 ptp180 -145.61 159.37 43.23 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.604 ' HG1' ' C ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 84.04 24.59 0.11 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.921 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.69 -102.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.454 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.3 tt0 -129.07 140.03 51.76 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 40.7 t -116.7 118.3 32.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.157 -177.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' B' ' 59' ' ' CYS . 65.8 m -137.27 149.74 47.32 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.1 m -129.59 155.23 46.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.339 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 18' ' ' THR . 14.0 ttt-85 -131.8 141.69 49.53 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.003 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -56.95 143.59 37.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.182 0.515 . . . . 0.0 111.558 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 16' ' ' ARG . 5.0 p 173.37 65.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 76.27 -14.56 0.79 Allowed 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.603 -0.686 . . . . 0.0 110.357 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 17' ' ' ASN . 7.2 mtt180 168.69 57.17 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.545 ' O ' ' O ' ' A' ' 16' ' ' ARG . 9.2 m-20 53.15 162.7 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.337 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.643 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.6 m -119.84 165.16 14.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.63 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 17.1 t -106.06 108.56 20.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.869 1.355 . . . . 0.0 110.501 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' SER . 54.7 m -143.65 109.23 5.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.004 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' HB2' ' H ' ' A' ' 4' ' ' ARG . 18.0 m -118.02 123.43 45.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -155.48 149.86 11.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.572 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -76.52 -18.38 58.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.028 0.442 . . . . 0.0 110.913 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.5 mt -107.03 123.17 47.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.185 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -64.46 -39.87 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.925 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -63.72 143.3 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.48 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t 57.14 99.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -110.28 -25.51 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -160.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 143.73 54.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.589 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' B' ' 44' ' ' ARG . 61.2 ttp180 -133.35 117.95 17.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' B' ' 61' ' ' CYS . 0.4 OUTLIER -87.79 -24.08 6.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.071 0.462 . . . . 0.0 110.614 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.473 ' CZ ' ' O ' ' B' ' 61' ' ' CYS . 5.3 tpp85 -164.76 -157.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.89 -116.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.066 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.461 ' O ' ' C ' ' B' ' 47' ' ' LEU . 7.0 p -123.68 -62.95 1.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.535 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.547 ' CG ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 18.46 -95.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.004 0.815 . . . . 0.0 113.014 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.547 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 61.0 tt0 -141.74 144.26 33.92 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 4.7 t -118.21 136.92 53.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.599 0.562 . . . . 0.0 110.633 -178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.488 ' N ' ' O ' ' B' ' 60' ' ' SER . 70.1 m -127.23 156.38 41.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.756 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.417 ' SG ' ' OD1' ' B' ' 57' ' ' ASN . 2.0 t -120.03 155.1 33.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.458 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 46.8 ptt85 -159.08 136.61 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.332 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.562 ' C ' ' HE ' ' B' ' 53' ' ' ARG . 0.2 OUTLIER -61.86 145.36 52.96 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.299 0.571 . . . . 0.0 111.363 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' B' ' 56' ' ' ARG . 10.1 p -174.54 63.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.044 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 64.86 -4.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 111.029 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' B' ' 54' ' ' VAL . 2.4 tpt85 -178.06 0.61 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.607 0.718 . . . . 0.0 111.671 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' B' ' 52' ' ' ARG . 8.8 t-20 74.45 135.39 0.05 Allowed 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.125 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 16' ' ' ARG . 3.0 p -121.79 164.43 17.46 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.317 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -114.28 129.12 56.63 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.65 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 50' ' ' SER . 55.6 m -118.65 126.43 51.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -117.02 129.19 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.754 -179.221 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -156.27 156.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.628 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -79.52 5.17 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.733 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.48 160.58 14.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.071 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.458 ' HG ' ' N ' ' B' ' 66' ' ' ARG . 89.8 p -61.37 -37.73 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.344 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' B' ' 67' ' ' SER . 17.5 ptm180 -164.66 148.08 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 0.4 OUTLIER 160.96 103.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.574 ' HG1' ' N ' ' B' ' 69' ' ' TYR . 0.0 OUTLIER -165.28 -92.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.759 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.574 ' N ' ' HG1' ' B' ' 68' ' ' THR . 63.2 t80 -59.62 -49.0 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.01 93.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.741 0.305 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 3' ' ' VAL . 72.3 mtp85 55.64 40.33 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 2' ' ' ARG . 40.0 t 40.31 94.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.583 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 24.8 mmm180 -82.64 -163.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' O ' ' OG1' ' A' ' 6' ' ' THR . 23.8 ptt180 -158.88 167.34 29.68 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.228 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 8.0 p 82.2 44.88 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 O-C-N 124.716 1.26 . . . . 0.0 110.396 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -161.8 -100.28 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.159 -178.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.506 ' H ' HD13 ' A' ' 7' ' ' LEU . 2.3 tt0 -126.62 139.19 53.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -118.06 126.36 52.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.958 0.786 . . . . 0.0 112.281 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.2 p -131.74 148.6 52.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.218 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -139.01 159.96 40.9 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.113 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -149.98 143.09 24.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.755 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -51.61 149.39 4.53 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.597 0.56 . . . . 0.0 111.92 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.548 ' C ' ' H ' ' A' ' 16' ' ' ARG . 4.0 p 172.21 63.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.763 1.289 . . . . 0.0 111.267 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.57 -17.61 0.43 Allowed 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.54 -0.725 . . . . 0.0 110.34 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 178.08 35.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' ARG . 3.7 t-20 59.65 151.67 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.484 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 159.43 21.6 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -113.31 124.86 53.46 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.787 1.305 . . . . 0.0 111.626 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -146.93 117.05 7.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.005 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -118.28 123.96 46.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.443 ' CA ' ' CD1' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -154.26 159.22 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.798 -177.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtp180 -78.73 -4.44 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 110.399 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.05 145.64 31.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.008 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.8 m -100.77 7.71 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' OG ' ' A' ' 27' ' ' SER . 17.8 ptm180 -147.98 159.54 43.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.941 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 26' ' ' ARG . 54.2 p 54.76 77.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.19 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -71.65 -41.39 68.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.194 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -158.71 134.12 8.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.685 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.2 152.56 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 55.12 47.03 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 t -112.29 121.47 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -132.15 -172.79 2.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.56 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.587 ' C ' ' HG1' ' B' ' 46' ' ' THR . 28.5 ptt180 -137.24 160.25 39.57 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.587 ' HG1' ' C ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER 85.13 22.34 0.09 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.498 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.07 -106.94 0.18 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.001 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' B' ' 62' ' ' ILE . 7.5 tp60 -124.07 137.19 54.61 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 9.7 t -118.52 128.5 54.64 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 60' ' ' SER . 90.5 p -140.22 156.79 46.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.775 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.3 m -138.97 159.81 41.25 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.362 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 49.4 ptt85 -147.43 139.12 24.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.399 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -50.19 150.0 2.64 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.523 0.514 . . . . 0.0 111.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.56 ' C ' ' H ' ' B' ' 56' ' ' ARG . 4.2 p 170.93 64.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 124.742 1.276 . . . . 0.0 111.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -15.98 0.44 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.583 -0.698 . . . . 0.0 110.576 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.56 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 176.37 35.23 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.847 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' B' ' 56' ' ' ARG . 74.1 m-20 57.37 150.9 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.726 0.775 . . . . 0.0 110.747 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.32 161.76 18.05 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 t -110.74 115.35 29.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 124.909 1.381 . . . . 0.0 110.83 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' B' ' 50' ' ' SER . 17.8 p -131.61 108.51 9.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.353 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 62.6 m -123.35 126.37 46.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' B' ' 48' ' ' GLN . 1.1 pp -153.33 172.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.523 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -89.85 1.41 56.21 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.272 0.558 . . . . 0.0 109.598 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -92.89 170.07 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.785 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -60.89 -43.41 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 179.91 51.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 39.4 t -104.05 121.49 43.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' B' ' 69' ' ' TYR . 0.0 OUTLIER -156.54 -97.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.515 ' N ' ' OG1' ' B' ' 68' ' ' THR . 79.9 t80 -131.7 128.55 39.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.45 153.35 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.697 0.284 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 24.17 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 p -62.99 -10.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 31.4 ptt-85 -128.42 116.42 19.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.762 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' B' ' 49' ' ' CYS . 76.5 mtp180 -157.76 -134.15 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 7' ' ' LEU . 9.1 p -133.09 -75.17 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.628 0.251 . . . . 0.0 110.6 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 8.36 -90.64 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.566 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 137.53 48.86 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.72 120.2 37.25 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.162 0.914 . . . . 0.0 112.434 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -130.61 146.7 52.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.016 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.36 157.25 40.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' THR . 52.0 ptt85 -152.37 160.6 43.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 14' ' ' VAL . 73.1 ttt180 -85.67 159.09 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.207 0.527 . . . . 0.0 111.198 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 7.2 p -172.42 -21.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.678 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 166.96 -15.93 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.366 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -179.41 31.7 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.13 -177.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 9.3 t-20 76.83 131.46 0.05 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.737 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -117.41 158.67 24.06 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.498 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 18.8 t -115.94 133.16 56.32 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.985 0.803 . . . . 0.0 111.796 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -146.81 115.37 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.143 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.2 m -117.82 120.17 37.1 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -156.05 151.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -178.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.44 HH12 ' CD1' ' A' ' 24' ' ' LEU . 30.8 ptt85 -87.14 -4.41 59.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' HH12 ' A' ' 23' ' ' ARG . 92.1 mt -129.48 141.57 50.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.013 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.4 p -66.05 -22.04 66.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.45 144.64 54.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.516 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m 53.07 63.4 2.25 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.166 0.507 . . . . 0.0 111.016 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.7 p -65.15 -26.02 68.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.61 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 13.8 p90 -148.02 160.77 42.5 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' TYR . . . -63.8 143.77 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.463 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.62 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.536 0.208 . . . . 0.0 110.661 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -126.3 135.98 52.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.84 -40.97 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -146.51 -154.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.836 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -102.06 -96.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.451 0.643 . . . . 0.0 112.733 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.445 ' O ' ' C ' ' B' ' 47' ' ' LEU . 15.4 p -125.85 -68.2 0.84 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.818 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.2 OUTLIER 19.25 -106.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.249 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.429 ' H ' HD13 ' B' ' 47' ' ' LEU . 3.8 tt0 -117.71 137.81 52.43 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 5.4 t -117.93 117.38 29.11 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.884 0.74 . . . . 0.0 111.586 -177.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -128.63 150.22 50.32 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.061 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -134.19 156.67 47.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.314 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' B' ' 58' ' ' THR . 1.8 ttt85 -141.79 141.23 33.17 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.639 0.257 . . . . 0.0 110.965 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -52.54 141.16 20.98 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.634 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' B' ' 56' ' ' ARG . 10.9 p -178.34 62.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.233 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.4 -14.56 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.138 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.545 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 177.71 35.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.745 0.783 . . . . 0.0 110.889 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.456 ' O ' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER 61.51 148.37 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.207 -178.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.561 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -114.65 162.38 16.86 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 28.6 t -110.98 112.59 24.53 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 124.448 1.093 . . . . 0.0 110.92 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -131.48 108.67 9.75 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.912 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 77.7 m -119.67 130.51 55.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.43 ' CA ' ' CD1' ' B' ' 47' ' ' LEU . 1.1 pp -160.06 169.8 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.533 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.04 3.89 53.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.6 mt -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.147 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -61.51 -40.23 93.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.876 0.37 . . . . 0.0 110.437 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.84 150.15 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.87 -43.38 98.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m 63.92 58.34 1.23 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.44 133.45 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' B' ' 71' ' ' SER . . . 63.88 43.06 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.581 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 70' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.818 0.342 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -70.11 142.74 52.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 4.8 p -85.84 16.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -126.95 -130.52 0.23 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.122 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 64.0 -137.72 0.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.229 0.956 . . . . 0.0 111.189 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 7' ' ' LEU . 24.5 p -133.09 -74.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.504 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 19.64 -100.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.864 0.728 . . . . 0.0 112.007 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -124.44 136.49 54.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.428 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -123.53 125.42 44.85 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.316 1.01 . . . . 0.0 112.815 -178.445 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.1 p -140.08 150.07 43.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.697 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -134.75 157.73 45.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.472 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 9.2 ptm85 -146.54 151.39 37.26 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.609 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -52.94 149.09 6.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 8.4 p 178.94 47.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.032 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 82.06 -13.46 0.86 Allowed 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.941 -0.474 . . . . 0.0 109.842 -179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -177.77 18.21 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.873 -179.384 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 8.3 t-20 79.54 145.59 0.09 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.707 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -114.77 155.64 26.34 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 14.8 t -110.26 124.23 51.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 124.866 1.354 . . . . 0.0 111.177 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.3 m -145.68 107.79 4.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.867 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 9' ' ' CYS . 78.1 m -120.26 124.83 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -158.08 157.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 123.614 0.571 . . . . 0.0 111.773 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HD2' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -89.12 -21.2 23.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.392 0.615 . . . . 0.0 111.048 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.6 mt -145.59 -153.43 0.48 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m 57.79 39.31 27.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.985 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -40.9 149.46 0.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.508 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.8 m 55.3 40.3 31.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.5 m -56.09 -39.05 71.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.624 ' CE2' ' NH2' ' A' ' 12' ' ' ARG . 57.6 t80 -56.17 -46.95 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.35 143.7 56.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.828 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.545 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.779 0.323 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 46.71 93.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.25 -40.16 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.219 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -149.46 -155.13 0.6 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -96.75 -104.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.799 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.493 ' O ' ' C ' ' B' ' 47' ' ' LEU . 22.8 p -119.79 -64.8 1.22 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.285 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.2 OUTLIER 19.16 -109.27 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 O-C-N 123.894 0.746 . . . . 0.0 112.165 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.406 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 2.5 tt0 -116.58 145.24 43.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.99 126.77 52.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.724 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 60' ' ' SER . 49.3 m -139.46 141.32 37.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.177 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.4 m -128.22 157.66 40.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.935 0.398 . . . . 0.0 110.486 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' B' ' 58' ' ' THR . 51.9 ptt85 -148.93 160.23 43.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.154 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 50.9 ttp180 -83.31 164.0 20.32 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.759 0.314 . . . . 0.0 111.063 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.464 ' N ' ' CG ' ' B' ' 53' ' ' ARG . 5.7 p -178.14 -29.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.91 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 175.9 -12.98 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.896 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER 179.08 27.93 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.441 -178.498 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 19.2 t30 79.46 130.5 0.05 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.645 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.39 159.44 21.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 35.4 t -112.57 133.56 54.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 124.195 0.934 . . . . 0.0 111.971 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 50' ' ' SER . 62.5 m -149.52 108.26 3.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.193 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 92.2 m -118.52 126.12 51.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.432 ' CA ' ' CD1' ' B' ' 47' ' ' LEU . 1.1 pp -157.08 154.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.82 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -100.38 8.08 43.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 87.5 mt -101.07 142.2 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.3 p -74.76 -9.45 58.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' B' ' 67' ' ' SER . 38.7 ptt180 -137.74 166.16 24.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 1.8 p 80.01 106.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -160.64 103.96 1.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' B' ' 69' ' ' TYR . 67.4 t80 41.16 85.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.427 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.68 152.63 42.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.343 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.2 t -107.19 118.68 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.674 ' NH1' HH22 ' A' ' 23' ' ' ARG . 83.7 mtp180 -84.25 -167.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.571 ' O ' ' OG1' ' A' ' 6' ' ' THR . 25.2 ptt180 -156.95 170.72 21.87 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.571 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 10.8 p 84.54 39.24 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 124.688 1.242 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD13 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -157.18 -102.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.673 -178.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' H ' HD13 ' A' ' 7' ' ' LEU . 4.7 tt0 -118.81 135.38 54.56 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 6.3 t -118.66 115.18 23.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.599 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 20' ' ' SER . 94.7 p -120.97 153.48 37.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.626 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 m -133.94 150.48 51.31 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.14 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.726 ' O ' ' N ' ' A' ' 18' ' ' THR . 17.5 ttm180 -138.88 153.91 48.33 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.679 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.5 ttt-85 -68.96 143.89 54.29 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.331 0.586 . . . . 0.0 112.002 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 12.5 p -178.59 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER 91.23 -10.63 0.26 Allowed 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 176.76 -42.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.295 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.603 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 167.18 156.2 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.99 -178.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.726 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -119.34 154.24 33.87 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.428 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.9 t -109.74 112.29 24.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.269 0.981 . . . . 0.0 110.375 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 10' ' ' SER . 54.7 p -137.64 109.1 6.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.017 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 67.9 m -121.55 128.0 51.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CA ' ' CD1' ' A' ' 7' ' ' LEU . 1.1 pp -158.27 166.82 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.609 -177.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.674 HH22 ' NH1' ' A' ' 4' ' ' ARG . 10.0 ptp85 -93.61 9.5 36.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.933 0.397 . . . . 0.0 110.533 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.48 159.87 33.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -59.84 -44.02 94.31 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -175.38 22.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.706 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -89.35 115.06 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' TYR . 5.7 p -145.27 102.1 3.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.563 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' THR . 3.1 m-30 58.27 121.12 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.427 0.632 . . . . 0.0 110.041 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.12 139.79 58.02 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.653 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.562 -179.766 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -131.35 143.3 50.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.514 ' CG1' ' SG ' ' B' ' 61' ' ' CYS . 4.1 p -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.044 0.45 . . . . 0.0 110.254 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.19 -165.5 0.1 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.838 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.561 HH21 HH22 ' B' ' 63' ' ' ARG . 91.2 mtm180 -87.87 -115.8 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.429 ' O ' ' C ' ' B' ' 47' ' ' LEU . 11.0 p -111.15 -60.76 1.79 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.951 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.479 ' CG ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 17.6 -95.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 2.1 tt0 -134.13 141.26 47.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -115.6 138.13 51.38 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.575 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 60' ' ' SER . 92.6 p -149.21 159.84 43.9 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.219 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.24 151.62 47.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.137 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' B' ' 58' ' ' THR . 3.7 ptt180 -141.63 164.45 30.19 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.52 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' B' ' 54' ' ' VAL . 8.2 tmm_? -100.19 159.09 15.38 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.216 0.531 . . . . 0.0 111.687 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.473 ' H ' ' HG2' ' B' ' 53' ' ' ARG . 7.2 p -171.04 -31.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.67 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.43 ' N ' HG11 ' B' ' 54' ' ' VAL . 1.6 p 178.17 -9.77 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.831 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 178.64 37.31 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.603 ' O ' ' O ' ' A' ' 17' ' ' ASN . 45.5 t30 69.8 133.48 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.496 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.0 OUTLIER -119.9 165.9 14.02 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.805 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 18' ' ' THR . 7.1 t -111.09 132.81 53.95 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.477 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' B' ' 50' ' ' SER . 54.0 m -150.77 113.21 4.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.447 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' B' ' 43' ' ' VAL . 1.8 m -118.23 124.6 48.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -154.1 152.63 9.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.1 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.561 HH22 HH21 ' B' ' 45' ' ' ARG . 15.7 ptp180 -97.52 1.97 49.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.973 0.416 . . . . 0.0 110.631 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.53 ' C ' ' H ' ' B' ' 66' ' ' ARG . 76.6 mt -126.8 156.28 41.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.199 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 t -67.11 9.46 0.21 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' B' ' 64' ' ' LEU . 8.4 ptp180 -60.15 -27.41 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.535 ' O ' ' N ' ' B' ' 69' ' ' TYR . 48.9 m 54.16 15.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.888 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.474 ' H ' ' HG3' ' B' ' 66' ' ' ARG . 9.5 m 58.87 -75.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' B' ' 67' ' ' SER . 83.3 t80 -113.36 126.96 55.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.28 154.51 36.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.614 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.739 0.304 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.03 154.19 51.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.527 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 1.8 m -97.22 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' NH1' ' HG ' ' B' ' 50' ' ' SER . 13.0 ttt85 175.67 138.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.336 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 157.99 -133.31 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.003 0.814 . . . . 0.0 109.932 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 7' ' ' LEU . 33.7 p -132.26 -62.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.199 -0.313 . . . . 0.0 111.317 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 0.66 -95.03 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.568 1.168 . . . . 0.0 113.348 -179.313 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' NE2' ' CG2' ' B' ' 46' ' ' THR . 3.6 tp60 -133.28 135.69 45.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.87 126.88 53.22 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.019 0.824 . . . . 0.0 113.072 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -138.86 151.29 46.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.053 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' B' ' 41' ' ' LEU . 2.5 m -136.69 159.13 42.74 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' ASN . 50.2 ptt85 -146.79 146.38 30.24 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -59.19 147.55 34.94 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.804 0.69 . . . . 0.0 112.112 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' C ' ' H ' ' A' ' 16' ' ' ARG . 3.1 p 174.07 70.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.328 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 70.64 -13.15 0.49 Allowed 'General case' 0 C--N 1.317 -0.821 0 O-C-N 121.854 -0.529 . . . . 0.0 110.632 -179.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER 170.85 22.62 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 122.179 0.99 . . . . 0.0 110.914 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 71.35 150.59 0.1 Allowed 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.783 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.432 ' H ' HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -117.43 162.32 18.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.032 178.505 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.4 t -113.39 126.63 55.57 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.275 0.984 . . . . 0.0 111.216 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -144.48 109.43 5.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.933 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -117.98 123.54 46.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.404 ' CA ' ' CD1' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -155.59 155.14 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.992 -177.142 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -72.5 -5.09 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.49 166.76 13.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -152.39 65.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.277 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -143.42 50.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.288 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 47.21 91.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.573 . . . . 0.0 110.258 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -60.67 -31.4 70.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 1.1 t80 -135.87 -130.46 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.963 0.411 . . . . 0.0 110.126 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.612 ' N ' ' CG ' ' A' ' 29' ' ' TYR . . . 179.72 162.05 0.92 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.388 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' CYS . 21.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -156.24 149.86 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.01 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.19 -42.29 93.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.065 0.459 . . . . 0.0 109.954 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -152.52 -157.38 0.79 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -95.16 -91.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.456 ' CG2' ' NE2' ' A' ' 8' ' ' GLN . 42.1 p -122.87 -64.4 1.18 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.554 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.2 OUTLIER 15.63 -103.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.632 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.432 ' H ' HD13 ' B' ' 47' ' ' LEU . 1.3 tp-100 -126.48 139.95 52.84 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' ARG . 29.5 t -118.83 126.04 50.93 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.237 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.522 ' HG ' ' NH1' ' A' ' 4' ' ' ARG . 53.2 m -136.3 145.68 45.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.78 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -136.3 156.4 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.627 ' NH1' ' CD1' ' B' ' 69' ' ' TYR . 10.8 ptm180 -148.12 152.7 37.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.079 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -56.81 145.3 29.89 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.293 0.568 . . . . 0.0 112.249 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.543 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 4.8 p -176.86 51.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.705 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.467 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 80.36 -11.58 1.13 Allowed 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.192 -0.943 . . . . 0.0 109.118 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.4 OUTLIER 177.92 21.21 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.874 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 8.3 t-20 76.87 146.61 0.09 Allowed 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.055 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.527 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -116.24 159.42 21.86 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 20.1 t -111.89 122.36 47.57 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.618 1.199 . . . . 0.0 111.213 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.9 m -142.47 108.9 5.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.102 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.07 126.52 51.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.442 ' CA ' ' CD1' ' B' ' 47' ' ' LEU . 1.1 pp -158.15 168.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.482 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -84.87 -0.53 54.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.078 0.466 . . . . 0.0 110.146 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 87.5 mt -87.28 151.6 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.294 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.7 m -112.89 48.22 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.671 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -151.03 169.27 22.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 96.5 p -42.9 117.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.249 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -83.65 -13.94 53.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.543 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.627 ' CD1' ' NH1' ' B' ' 52' ' ' ARG . 55.9 t80 -59.95 -48.83 80.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.61 136.72 42.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' VAL . 19.7 ptp180 -62.99 155.75 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.416 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' ARG . 57.4 t 39.53 92.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 20.5 ttt180 -75.21 -165.28 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.271 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.604 ' C ' ' HG1' ' A' ' 6' ' ' THR . 37.3 ptt85 -158.11 167.38 30.02 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.204 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.604 ' HG1' ' C ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 85.39 25.82 0.07 Allowed 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 123.521 0.513 . . . . 0.0 109.751 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' CD1' ' CA ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -139.97 -106.73 0.16 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 -178.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.4 tm0? -114.95 138.23 51.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 8.7 t -118.66 126.85 52.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.287 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p -145.69 161.01 40.86 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.741 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m -123.65 158.55 31.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 18' ' ' THR . 39.7 ptt180 -143.94 152.48 41.15 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.516 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -78.16 153.51 32.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.694 0.759 . . . . 0.0 111.852 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' CYS . 14.8 p -171.8 -18.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.556 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 162.84 -22.34 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.823 -178.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.87 38.33 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.73 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' B' ' 57' ' ' ASN . 24.3 t30 67.62 134.86 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -118.74 168.7 10.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.874 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -106.06 121.52 44.3 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.776 0.673 . . . . 0.0 112.13 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -139.6 109.04 6.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.79 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 85.8 m -119.39 127.32 53.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.433 ' CA ' ' CD1' ' A' ' 7' ' ' LEU . 1.1 pp -158.73 163.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.996 -177.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -84.25 -0.81 53.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 110.054 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.23 165.35 20.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.651 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.9 m -77.84 49.26 0.76 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.992 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 60.84 30.32 19.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.791 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -109.18 95.62 5.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.381 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.468 ' HG1' ' N ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -156.32 -60.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.485 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' N ' ' HG1' ' A' ' 28' ' ' THR . 59.9 t80 -59.41 -49.37 78.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.668 0.27 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -106.91 118.25 36.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.75 103.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.497 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.456 ' H ' ' HB2' ' B' ' 61' ' ' CYS . 0.0 OUTLIER -86.89 -147.99 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.027 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -103.34 -74.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.441 ' O ' ' C ' ' B' ' 47' ' ' LEU . 12.5 p -120.52 -76.29 0.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.2 OUTLIER 17.36 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.535 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.6 ' NE2' HH21 ' B' ' 66' ' ' ARG . 4.1 tm0? -136.74 138.36 40.88 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.444 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 5.0 t -122.17 133.58 54.73 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.976 0.797 . . . . 0.0 112.473 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.459 ' OG ' ' NE ' ' B' ' 66' ' ' ARG . 54.7 m -138.4 153.36 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.456 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 43.7 m -125.37 156.12 39.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -149.94 156.71 42.22 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.403 HH12 ' HA ' ' B' ' 56' ' ' ARG . 1.3 ttt85 -73.66 147.2 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.846 0.831 . . . . 0.0 112.74 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.521 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 11.0 p -174.97 65.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 113.827 -1.533 . . . . 0.0 110.167 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 0.2 OUTLIER 77.88 -3.31 2.39 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.403 ' HA ' HH12 ' B' ' 53' ' ' ARG . 1.1 tpt85 179.73 -56.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.118 0.961 . . . . 0.0 110.535 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 17' ' ' ASN . 6.0 m-20 167.06 166.29 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.49 -178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.43 ' OG1' HG13 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -149.54 158.91 44.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.282 178.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -117.13 128.13 54.83 Favored 'General case' 0 N--CA 1.427 -1.577 0 O-C-N 124.762 1.289 . . . . 0.0 112.044 -178.565 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 67.4 m -124.97 113.56 17.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.139 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.456 ' HB2' ' H ' ' B' ' 44' ' ' ARG . 0.0 OUTLIER -117.64 122.2 42.95 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -165.49 152.02 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.691 0.758 . . . . 0.0 112.032 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -81.85 8.8 9.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.478 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.9 mt -88.53 -172.25 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -91.61 30.13 1.39 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.263 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.6 HH21 ' NE2' ' B' ' 48' ' ' GLN . 98.8 mtt180 62.44 -160.7 0.3 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 53.2 m 56.05 29.51 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.417 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.9 m -62.83 -46.5 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -105.79 -46.98 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.28 148.45 34.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.452 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.232 0.15 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -128.29 146.16 50.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 3.4 p -69.88 -15.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.673 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -115.13 109.92 18.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -153.79 -153.91 0.49 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.056 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 p -143.65 80.27 1.66 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 110.378 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.513 HD13 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -156.07 -99.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.246 -178.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.513 ' H ' HD13 ' A' ' 7' ' ' LEU . 3.2 tt0 -110.25 128.18 55.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -117.57 122.09 42.72 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 124.158 0.911 . . . . 0.0 113.084 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.8 m -133.26 142.43 48.51 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.077 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 m -131.52 158.86 39.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.318 0.58 . . . . 0.0 110.856 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 17.5 ptm180 -148.79 145.39 27.54 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.066 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 65.3 ttt180 -53.05 157.24 1.83 Allowed 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.847 0.717 . . . . 0.0 110.738 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' H ' ' A' ' 16' ' ' ARG . 4.6 p 163.86 66.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 124.333 1.021 . . . . 0.0 110.89 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.29 -19.79 0.24 Allowed 'General case' 0 C--N 1.311 -1.104 0 O-C-N 121.924 -0.485 . . . . 0.0 110.639 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 179.85 34.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.138 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER 59.21 148.09 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.611 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -113.66 157.11 22.58 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 15.4 t -113.22 122.6 47.97 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 124.672 1.232 . . . . 0.0 111.417 -177.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -142.71 108.3 5.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.533 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.6 m -118.53 126.92 53.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 1.1 pp -156.46 165.73 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.755 -177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -97.78 8.47 44.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.0 mt -105.34 154.19 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -39.92 91.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.53 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -65.39 141.93 58.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.9 p -62.95 -34.71 78.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m 66.71 46.74 1.68 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -60.15 -49.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.03 142.84 54.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.704 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.727 0.298 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -103.11 19.61 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 3.0 p -65.7 -4.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.653 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 45' ' ' ARG . 36.2 ptt-85 -145.52 152.25 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.518 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.489 ' HB3' ' H ' ' B' ' 46' ' ' THR . 12.5 mtt85 163.93 -140.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.656 0.598 . . . . 0.0 110.556 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.489 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 2.6 p -142.13 79.19 1.66 Allowed 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.491 HD13 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -153.72 -100.99 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.005 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.491 ' H ' HD13 ' B' ' 47' ' ' LEU . 5.2 tt0 -111.99 130.89 55.71 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 36.6 t -116.4 123.82 48.5 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.968 0.792 . . . . 0.0 113.03 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 62.0 m -136.42 143.25 43.83 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.203 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.44 160.46 39.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.223 0.535 . . . . 0.0 110.757 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.537 ' NH1' ' O ' ' B' ' 69' ' ' TYR . 17.4 ptm180 -146.81 147.34 30.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.291 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' B' ' 54' ' ' VAL . 7.8 tmm_? -57.25 151.07 16.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.662 0.601 . . . . 0.0 110.343 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.57 ' C ' ' H ' ' B' ' 56' ' ' ARG . 4.0 p 172.65 66.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.031 0.832 . . . . 0.0 110.913 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.54 -18.85 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.739 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -177.07 12.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.999 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 8.2 t-20 80.88 148.24 0.09 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.739 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.413 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -113.37 155.51 25.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.531 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 18.9 t -111.19 122.36 47.66 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.313 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 58.7 m -142.07 107.22 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.135 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -121.91 128.54 51.68 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' GLN . 1.1 pp -159.07 169.03 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.744 -178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -105.63 8.54 33.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.834 0.349 . . . . 0.0 110.71 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -119.45 153.48 35.2 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -87.07 10.24 17.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.407 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -57.83 151.12 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 98.1 p -56.69 121.05 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.437 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.5 p -92.61 88.86 6.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.537 ' O ' ' NH1' ' B' ' 52' ' ' ARG . 61.9 t80 55.57 94.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' B' ' 69' ' ' TYR . . . 76.22 -155.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -104.65 17.02 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -111.13 113.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -174.75 71.91 0.03 OUTLIER 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.83 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -136.09 -141.24 0.17 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.532 ' H ' HD22 ' A' ' 7' ' ' LEU . 68.9 p -140.46 -82.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.528 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.532 HD22 ' H ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 16.72 -90.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 124.102 0.876 . . . . 0.0 112.015 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -131.74 136.55 47.68 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t -119.33 119.91 35.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.955 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.2 m -134.72 146.06 49.08 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.445 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -130.62 157.23 43.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -136.25 138.03 41.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.715 179.118 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -51.46 143.94 11.06 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 123.653 0.596 . . . . 0.0 110.824 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' C ' ' H ' ' A' ' 16' ' ' ARG . 14.4 p 177.13 64.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.877 1.361 . . . . 0.0 111.637 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 70.51 -14.77 0.4 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.837 0.351 . . . . 0.0 110.22 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.592 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER 178.25 34.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.807 0.813 . . . . 0.0 111.223 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.79 151.4 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.456 0.646 . . . . 0.0 110.395 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -114.52 160.42 19.26 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.692 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' B' ' 58' ' ' THR . 61.5 m -108.88 120.47 42.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 124.734 1.271 . . . . 0.0 111.662 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -145.48 105.38 4.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.233 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 9' ' ' CYS . 76.5 m -119.69 121.4 39.15 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -157.39 156.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.997 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.41 -3.76 22.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.4 mt -83.56 135.4 34.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.8 m -65.95 -40.22 91.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -71.42 147.21 48.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.3 m -74.5 120.4 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.393 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -93.63 97.42 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.192 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -114.07 130.16 56.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.977 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.96 151.7 37.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.639 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.599 ' N ' ' NH2' ' B' ' 45' ' ' ARG . 2.0 mp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.93 0.395 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.485 ' NH1' ' OG1' ' B' ' 68' ' ' THR . 17.2 ptp180 -67.54 173.74 3.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.485 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' B' ' 43' ' ' VAL . 55.5 t 59.92 32.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -174.09 -152.83 0.05 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.599 ' NH2' ' N ' ' B' ' 41' ' ' LEU . 99.5 mtt180 60.0 -133.98 0.81 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.813 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.464 ' O ' ' C ' ' B' ' 47' ' ' LEU . 60.7 p -135.89 -75.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 19.97 -104.81 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.721 0.638 . . . . 0.0 112.285 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -116.82 139.72 50.27 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 39.3 t -118.42 130.06 55.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.523 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 51.3 m -144.17 158.84 43.49 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.851 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 58' ' ' THR . 5.8 t -139.06 160.26 40.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.034 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 46.6 ptt85 -152.64 139.24 18.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' B' ' 54' ' ' VAL . 62.1 ttt180 -53.53 154.25 3.7 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 123.939 0.775 . . . . 0.0 110.859 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.662 ' C ' ' H ' ' B' ' 56' ' ' ARG . 4.5 p 165.99 73.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 125.117 1.51 . . . . 0.0 111.488 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 64.23 -13.28 0.1 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.461 -0.774 . . . . 0.0 110.646 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.662 ' H ' ' C ' ' B' ' 54' ' ' VAL . 1.8 mtt180 172.38 30.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.347 1.07 . . . . 0.0 110.831 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' B' ' 52' ' ' ARG . 0.7 OUTLIER 59.45 148.96 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.838 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.604 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -116.26 154.97 29.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.207 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 34.1 t -110.45 114.49 27.95 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 124.812 1.32 . . . . 0.0 110.93 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -131.33 114.48 15.05 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 94.3 m -118.36 123.88 46.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -159.24 152.25 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 123.867 0.73 . . . . 0.0 111.675 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -73.74 -16.15 61.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.186 0.517 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.06 149.82 42.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.004 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.1 p -88.75 -12.21 42.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -93.98 150.66 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 66.9 m -74.91 112.51 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.467 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.485 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 13.5 t -55.22 -17.85 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.53 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' B' ' 52' ' ' ARG . 88.7 t80 -60.25 129.66 42.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.531 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.97 154.88 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.635 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.899 0.381 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -94.31 123.29 37.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 40.3 t -128.82 132.49 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.438 ' CG ' ' H ' ' A' ' 5' ' ' ARG . 7.1 tpt180 -116.29 -142.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.027 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' H ' ' CG ' ' A' ' 4' ' ' ARG . 89.1 mtm180 -94.89 -103.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.201 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.646 ' HG1' ' H ' ' A' ' 7' ' ' LEU . 16.1 p -101.64 -70.64 0.74 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.553 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.646 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER 22.63 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.036 0.835 . . . . 0.0 112.374 179.134 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.487 HE21 ' NH2' ' B' ' 45' ' ' ARG . 2.8 tt0 -129.77 139.94 51.17 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.88 124.45 47.15 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.874 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 m -129.43 154.28 47.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.406 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.21 147.68 50.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.758 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.677 ' O ' ' N ' ' A' ' 18' ' ' THR . 21.0 ttt-85 -134.93 147.24 49.74 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.897 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -62.14 141.69 58.02 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.353 0.597 . . . . 0.0 111.402 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.563 ' C ' ' H ' ' A' ' 16' ' ' ARG . 10.0 p -175.44 60.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.833 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 69.22 -12.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.909 -0.495 . . . . 0.0 110.021 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.563 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER 176.91 49.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.04 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' O ' ' A' ' 16' ' ' ARG . 82.8 m-20 55.48 151.92 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.721 0.772 . . . . 0.0 110.409 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -119.17 161.23 20.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.155 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 34.9 t -108.93 117.25 33.72 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 124.235 0.959 . . . . 0.0 110.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.0 m -139.01 110.44 6.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.388 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' H ' ' HA ' ' A' ' 3' ' ' VAL . 1.6 m -117.72 122.29 43.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.91 169.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.472 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -103.23 5.32 37.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.15 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.3 149.14 22.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.757 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -82.99 -6.27 59.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -139.79 158.89 43.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.53 98.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.059 0.457 . . . . 0.0 110.877 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.2 p -110.87 -21.71 11.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.688 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD1' ' CD ' ' A' ' 12' ' ' ARG . 1.2 p90 -149.32 157.88 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.176 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.44 -5.45 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.642 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.28 154.36 39.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.476 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 68.8 t -126.44 121.86 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.247 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.42 ' CG ' ' H ' ' B' ' 45' ' ' ARG . 11.3 tpp180 -113.41 -157.51 0.62 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.3 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.662 ' C ' ' HG1' ' B' ' 46' ' ' THR . 13.2 ptm180 -165.16 162.99 20.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.662 ' HG1' ' C ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER 83.84 27.92 0.09 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.123 0.487 . . . . 0.0 109.967 179.137 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.48 -101.38 0.09 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.914 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' B' ' 49' ' ' CYS . 1.1 tm0? -117.06 135.79 53.45 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 5.1 t -117.55 121.14 40.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.582 -177.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -129.7 154.81 46.79 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.202 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -129.19 148.49 51.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.89 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.596 ' O ' ' N ' ' B' ' 58' ' ' THR . 22.6 ttt-85 -135.99 148.33 48.4 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.001 0.429 . . . . 0.0 110.626 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' B' ' 54' ' ' VAL . 0.7 OUTLIER -72.87 148.82 44.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' B' ' 55' ' ' CYS . 7.7 p 179.28 64.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.244 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.5 OUTLIER 83.74 -5.12 1.15 Allowed 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 175.98 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 17' ' ' ASN . 5.6 m-20 166.47 149.92 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.027 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.596 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -121.59 158.84 27.69 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.709 179.197 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.53 115.95 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.88 0.738 . . . . 0.0 110.914 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -135.72 108.19 7.38 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.024 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 72.9 m -121.45 126.05 48.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -159.27 152.47 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.491 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -66.92 -39.39 87.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.297 0.57 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 65' ' ' SER . 99.5 mt -142.56 -159.89 1.03 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.416 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.8 OUTLIER 81.03 40.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.982 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -42.55 139.51 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.625 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.4 m 53.85 50.34 17.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.408 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -60.74 -45.12 95.5 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.106 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.538 ' CE1' ' CZ ' ' B' ' 52' ' ' ARG . 0.6 OUTLIER -104.43 -135.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.151 0.5 . . . . 0.0 110.393 179.335 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 62.51 47.88 4.79 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.375 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.63 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.34 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -127.37 144.81 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 11.1 p -141.03 97.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' CG ' ' H ' ' A' ' 5' ' ' ARG . 30.4 ttp180 -175.01 -140.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' H ' ' CG ' ' A' ' 4' ' ' ARG . 84.5 mtp180 59.72 -135.04 0.8 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.805 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LEU . 23.2 p -129.38 -71.93 0.61 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 18.09 -102.05 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -179.589 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.63 136.86 51.25 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.21 118.92 33.16 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.24 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 20' ' ' SER . 58.2 m -127.11 148.19 50.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.93 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 43' ' ' VAL . 25.5 m -133.34 151.55 51.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.128 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 18' ' ' THR . 17.7 ttm180 -132.37 157.23 45.05 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 6.1 tmm_? -71.82 145.86 48.37 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.413 0.625 . . . . 0.0 111.301 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 14' ' ' VAL . 13.2 p -176.08 68.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.369 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 74.59 -4.55 2.31 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.167 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 179.72 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.491 0.663 . . . . 0.0 111.874 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.595 ' O ' ' O ' ' B' ' 57' ' ' ASN . 5.1 m-20 164.59 153.39 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.233 -1.348 . . . . 0.0 111.169 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.691 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -121.59 162.06 21.29 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' B' ' 58' ' ' THR . 33.9 m -108.63 125.68 52.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.267 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' SER . 30.0 p -150.9 107.62 3.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.911 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -127.33 125.94 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' CA ' ' CD1' ' A' ' 7' ' ' LEU . 1.2 pp -158.92 167.63 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.14 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -85.12 -0.62 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.546 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.9 mt -92.64 162.98 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.22 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.96 -44.42 96.79 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.891 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 27' ' ' SER . 8.4 ptm180 -175.91 -162.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER 82.53 28.59 0.12 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.0 m -71.36 -46.56 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 111.208 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.61 ' CD2' ' NH1' ' A' ' 12' ' ' ARG . 92.5 t80 -63.86 131.98 49.43 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 45.01 32.39 0.85 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' SER . 33.9 t . . . . . 0 C--N 1.332 -0.18 0 CA-C-O 120.963 0.411 . . . . 0.0 110.517 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.554 ' NH2' ' CZ ' ' B' ' 44' ' ' ARG . 82.2 mtp180 -127.86 142.02 51.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.297 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.491 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 20.4 t -107.31 43.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.554 ' CZ ' ' NH2' ' B' ' 42' ' ' ARG . 6.3 ptm85 -102.93 117.2 34.07 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.014 0.435 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -154.02 -133.38 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.818 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.501 ' O ' ' C ' ' B' ' 47' ' ' LEU . 76.0 p -141.96 -78.8 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.501 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 8.1 -101.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.239 0.962 . . . . 0.0 113.212 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 0.4 OUTLIER -124.93 143.88 50.64 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 35.9 t -117.04 132.27 56.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.948 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.0 t -144.56 162.3 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.693 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.587 ' SG ' ' ND2' ' B' ' 57' ' ' ASN . 1.0 OUTLIER -127.62 161.57 28.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.753 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' B' ' 58' ' ' THR . 6.4 ptm180 -153.73 163.65 39.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.095 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 75.7 ttt180 -102.58 158.16 16.42 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.744 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' B' ' 53' ' ' ARG . 7.3 p -174.94 -19.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 169.04 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.289 -178.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.5 OUTLIER -178.3 43.14 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.523 0.678 . . . . 0.0 110.657 -177.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.595 ' O ' ' O ' ' A' ' 17' ' ' ASN . 42.3 t30 61.87 130.48 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.559 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -118.74 164.4 15.44 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.245 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 3.8 t -111.0 129.54 55.86 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 124.055 0.847 . . . . 0.0 112.329 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -145.21 112.82 6.27 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.462 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.484 ' H ' ' CG1' ' B' ' 43' ' ' VAL . 87.9 m -118.6 129.4 55.3 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -157.79 150.7 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -89.93 -23.63 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.065 0.459 . . . . 0.0 111.09 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 97.1 mt -112.92 148.68 34.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.118 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -80.27 54.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.815 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -65.69 153.51 41.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t -53.0 115.53 1.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.211 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.33 100.23 7.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.855 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' B' ' 70' ' ' ALA . 28.2 p90 -56.76 -30.12 63.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.527 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' B' ' 69' ' ' TYR . . . 40.08 -122.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.694 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.718 0.294 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.87 137.16 47.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.221 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -19.23 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.143 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 179.22 -163.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.939 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' NH2' ' NH2' ' A' ' 23' ' ' ARG . 90.2 mtm180 -96.84 -115.62 0.13 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.229 0.538 . . . . 0.0 112.41 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' B' ' 47' ' ' LEU . 34.8 p -100.3 -64.13 1.07 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.265 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 18.16 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 113.28 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -140.77 136.59 32.65 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t -119.3 127.62 53.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.654 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.4 p -140.24 152.52 46.01 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.692 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.4 158.45 44.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 17' ' ' ASN . 20.5 ptp180 -146.67 140.4 25.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.322 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -52.15 151.63 3.71 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.817 0.698 . . . . 0.0 111.704 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' C ' ' H ' ' A' ' 16' ' ' ARG . 3.4 p 170.03 67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 124.686 1.241 . . . . 0.0 111.226 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.1 -16.84 0.39 Allowed 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.684 -0.635 . . . . 0.0 110.608 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 177.36 22.87 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER 68.9 150.89 0.08 Allowed 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.002 -179.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.04 160.52 19.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -111.9 116.27 30.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 O-C-N 125.022 1.451 . . . . 0.0 110.491 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -137.19 109.15 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.03 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 9' ' ' CYS . 77.4 m -119.14 124.41 46.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -154.08 152.63 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.318 -177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 19.6 ptp180 -86.57 -26.37 24.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.371 0.605 . . . . 0.0 110.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.2 mt -145.92 -161.47 1.32 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.683 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m 60.04 20.56 9.7 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 38.62 -118.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.757 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.4 m -78.3 113.38 16.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -63.86 -44.17 93.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.686 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' O ' ' NH1' ' A' ' 12' ' ' ARG . 76.5 t80 -91.69 129.4 37.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.2 150.16 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.655 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.885 0.374 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -72.84 143.42 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.043 0.449 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 70.4 t 56.61 70.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.565 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.437 ' H ' ' HB2' ' B' ' 61' ' ' CYS . 1.2 mmp_? -85.11 -134.57 0.05 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -107.3 -59.31 1.84 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.689 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.443 ' H ' HD21 ' B' ' 47' ' ' LEU . 72.7 p -135.76 -78.17 0.43 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.487 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 6' ' ' THR . 0.2 OUTLIER 20.4 -104.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.177 -179.58 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' B' ' 62' ' ' ILE . 10.4 tp60 -116.21 140.17 49.58 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.0 t -118.79 126.73 52.51 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.091 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -133.52 147.37 51.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.146 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -138.22 159.41 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 58' ' ' THR . 36.7 ptt-85 -150.54 141.23 22.67 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.516 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -51.89 151.26 3.62 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.659 0.6 . . . . 0.0 111.774 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.559 ' C ' ' H ' ' B' ' 56' ' ' ARG . 4.0 p 170.82 64.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.744 1.277 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.0 -16.48 0.46 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.601 -0.687 . . . . 0.0 110.458 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.7 OUTLIER 177.34 32.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.935 -179.429 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 56' ' ' ARG . 5.7 t-20 60.4 149.32 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.751 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.429 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.03 160.73 19.26 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.227 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.485 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 20.9 t -111.98 130.39 55.87 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 124.734 1.271 . . . . 0.0 110.754 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -151.23 110.64 3.97 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.48 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.478 ' H ' ' H ' ' B' ' 43' ' ' VAL . 72.2 m -117.86 129.95 55.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -145.89 172.61 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.554 -177.141 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.639 ' CD ' ' H ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -90.66 -11.34 40.09 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.901 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 93.6 mt -127.49 140.04 52.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 94.6 p -62.11 -26.18 68.15 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.823 0.344 . . . . 0.0 110.663 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' B' ' 67' ' ' SER . 45.0 mtm105 -73.24 153.2 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.64 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 0.6 OUTLIER 80.28 103.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.483 ' O ' ' N ' ' B' ' 70' ' ' ALA . 5.0 t -164.52 25.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 110.749 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' B' ' 70' ' ' ALA . 42.6 t80 55.83 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -124.76 139.24 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.461 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -156.77 168.24 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.766 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.495 ' CG1' ' H ' ' A' ' 21' ' ' CYS . 90.2 t -97.36 116.14 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.873 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -71.18 -175.97 1.33 Allowed 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' C ' ' HG1' ' A' ' 6' ' ' THR . 30.1 ptt180 -154.36 172.82 17.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.504 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.654 ' HG1' ' C ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 84.26 28.79 0.07 Allowed 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.74 -101.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.095 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.43 138.43 54.59 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.7 t -119.21 128.68 54.44 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.0 p -137.5 142.98 41.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.992 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m -129.94 156.64 44.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 18' ' ' THR . 20.3 ptp180 -146.33 147.13 31.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.593 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -54.96 142.33 30.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.695 0.759 . . . . 0.0 112.16 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 16' ' ' ARG . 7.9 p -176.59 56.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.336 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.95 -14.77 0.76 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 109.923 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 178.56 39.29 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.241 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 59.68 148.22 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.896 -178.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -116.22 160.04 20.98 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 t -109.91 112.91 25.23 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.873 1.358 . . . . 0.0 111.255 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -133.6 108.37 8.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.081 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 81.4 m -120.5 127.63 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pp -156.07 154.19 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.599 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -90.5 -3.81 57.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -112.83 129.65 56.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.715 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -63.36 -41.52 98.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -73.4 147.35 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.448 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t 60.67 98.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.13 0.491 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -106.98 -18.17 13.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.78 -139.28 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.269 0.557 . . . . 0.0 110.408 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.39 41.13 7.87 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.929 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -64.25 140.66 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.29 -41.27 90.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -156.32 -163.14 1.39 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.467 ' H ' ' HD3' ' B' ' 44' ' ' ARG . 77.7 mtp85 -89.91 -97.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.427 ' O ' ' C ' ' B' ' 47' ' ' LEU . 14.4 p -116.92 -65.15 1.22 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.46 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 18.8 -99.62 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -131.68 141.21 49.53 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -118.35 128.9 55.08 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.096 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -138.95 147.67 42.55 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.102 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.51 149.72 49.19 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.559 ' O ' ' N ' ' B' ' 58' ' ' THR . 7.6 ttt-85 -141.19 154.15 45.69 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 120.752 0.31 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -88.67 156.62 18.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.194 0.521 . . . . 0.0 110.998 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -169.51 -19.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.04 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 168.42 -16.19 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.404 -178.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.6 OUTLIER -179.0 32.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.412 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 28.5 t30 74.3 131.53 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.978 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.559 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.3 OUTLIER -116.22 161.46 18.93 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.545 179.228 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -112.97 136.88 52.15 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 124.196 0.935 . . . . 0.0 111.033 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -152.81 107.52 3.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.745 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 80.0 m -123.85 126.39 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.414 HD13 ' H ' ' B' ' 64' ' ' LEU . 1.1 pp -155.59 171.23 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.616 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -94.78 19.55 9.93 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.414 ' H ' HD13 ' B' ' 62' ' ' ILE . 86.4 mt 62.66 -160.98 0.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.863 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t 70.96 9.31 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.671 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.08 170.97 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.037 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' B' ' 68' ' ' THR . 74.3 m -60.21 -40.63 90.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.4 ' C ' ' O ' ' B' ' 67' ' ' SER . 4.2 m 39.32 75.05 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.757 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -49.66 -20.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.77 91.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.388 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.513 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.694 0.283 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' NH1' ' NH2' ' A' ' 5' ' ' ARG . 25.8 mmt85 -124.06 134.69 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.197 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.511 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 12.2 p -174.04 41.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.974 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 17.4 ttm180 -165.05 -144.82 0.08 Allowed 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.054 0.454 . . . . 0.0 110.213 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' NH2' ' NH1' ' A' ' 2' ' ' ARG . 65.8 mtm180 61.15 -134.85 0.63 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.463 ' HG1' ' H ' ' A' ' 7' ' ' LEU . 75.1 p -131.51 -71.46 0.56 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.196 0.522 . . . . 0.0 111.838 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.463 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER 15.37 -96.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -130.49 133.06 45.97 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.57 127.59 49.65 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 124.306 1.004 . . . . 0.0 112.949 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -141.64 153.12 44.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.629 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -137.86 159.88 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 36.2 ptt-85 -147.32 145.17 29.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.503 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -57.31 147.42 25.73 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' A' ' 16' ' ' ARG . 2.9 p 174.66 70.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.358 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 70.78 -12.23 0.57 Allowed 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.67 -0.644 . . . . 0.0 110.63 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 14' ' ' VAL . 1.3 mtt180 169.8 23.67 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.1 0.952 . . . . 0.0 110.7 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 12' ' ' ARG . 6.8 t-20 69.59 149.56 0.08 Allowed 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.947 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.25 160.56 20.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 113.48 -1.691 . . . . 0.0 108.97 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 t -114.17 132.6 56.03 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 111.52 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -149.73 109.39 4.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.162 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.56 123.59 45.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -155.12 165.71 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.141 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.05 1.99 33.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.537 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -96.73 162.22 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.328 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m -94.24 -3.36 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -70.99 149.85 46.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.154 0.502 . . . . 0.0 111.244 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.1 p -67.2 -21.24 65.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.757 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m 59.83 54.28 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' CE2' ' O ' ' A' ' 30' ' ' ALA . 49.3 t80 -107.59 128.0 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . -64.98 141.87 58.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.637 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.637 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 121.062 0.458 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' CYS . 11.6 mpt_? -102.09 23.78 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 52.7 t -85.02 105.1 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.663 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -112.68 -142.68 0.38 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.89 -131.28 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.443 ' O ' ' C ' ' B' ' 47' ' ' LEU . 46.6 p -82.67 -64.87 1.09 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.688 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.479 ' CG ' ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER 17.35 -86.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.676 -1.147 . . . . 0.0 113.593 179.132 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 1.3 tm0? -136.76 139.13 41.63 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . 0.471 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 37.3 t -118.02 126.75 52.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.391 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -134.33 143.63 47.81 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.729 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -140.79 157.39 45.47 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' B' ' 69' ' ' TYR . 16.1 ptm180 -152.9 153.48 33.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.045 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -55.5 145.44 22.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 112.015 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.588 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 4.5 p -176.29 57.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.296 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 75.62 -11.47 1.11 Allowed 'General case' 0 C--N 1.312 -1.033 0 O-C-N 120.536 -1.352 . . . . 0.0 109.333 -178.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.502 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 175.95 21.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.875 -179.387 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 8.6 t-20 76.25 144.22 0.08 Allowed 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.341 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.24 156.72 24.85 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.779 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' CYS . . . . . 0.46 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 9.7 t -114.07 132.05 56.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.817 1.323 . . . . 0.0 111.419 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 82.3 p -153.99 113.31 3.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.776 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' B' ' 42' ' ' ARG . 73.6 m -117.87 125.75 51.09 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -154.83 161.81 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.304 -177.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -89.49 33.91 0.82 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 65' ' ' SER . 83.9 mt 60.61 -157.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.9 OUTLIER 80.25 10.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.884 -179.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -161.13 156.71 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -63.73 -40.16 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.338 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.521 ' O ' ' N ' ' B' ' 70' ' ' ALA . 89.2 m 57.22 38.89 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.621 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' TYR . . . . . 0.523 ' O ' ' NH1' ' B' ' 52' ' ' ARG . 38.6 p90 34.14 32.34 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.694 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -60.58 -39.77 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.757 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.953 0.406 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' NH2' ' CZ ' ' A' ' 4' ' ' ARG . 17.6 ptm180 -150.18 159.8 44.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.367 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.717 HG21 ' O ' ' A' ' 19' ' ' CYS . 23.5 t -128.85 129.04 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' CZ ' ' NH2' ' A' ' 2' ' ' ARG . 39.8 ttm180 -170.63 144.79 2.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.167 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' HD3' ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 169.39 -165.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.656 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.407 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 63.5 p -142.53 74.28 1.44 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.792 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -150.84 -96.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.273 0.559 . . . . 0.0 112.276 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.687 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.0 tt0 -113.81 123.16 49.16 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -116.46 117.43 29.9 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.947 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -124.27 145.36 49.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.71 153.02 48.58 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 18' ' ' THR . 7.7 ttm180 -138.73 141.42 38.89 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.42 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.77 139.91 31.47 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.452 0.644 . . . . 0.0 111.239 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 14' ' ' VAL . 14.0 p 179.7 69.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 113.963 -1.472 . . . . 0.0 110.905 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 4.9 t 67.08 -11.48 0.27 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.452 0.168 . . . . 0.0 110.657 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 174.89 32.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.745 0.783 . . . . 0.0 111.236 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.557 ' C ' HG12 ' A' ' 14' ' ' VAL . 10.7 t-20 65.09 153.92 0.06 Allowed 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.29 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.747 HG23 HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -114.58 157.14 23.44 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.717 ' O ' HG21 ' A' ' 3' ' ' VAL . 18.2 t -115.68 115.85 27.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 124.443 1.09 . . . . 0.0 111.457 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.555 ' HA ' HG11 ' A' ' 3' ' ' VAL . 69.0 m -132.98 120.03 20.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.703 ' SG ' HG12 ' A' ' 3' ' ' VAL . 2.6 m -118.14 119.67 35.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -158.43 155.36 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 111.228 -178.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.75 -37.35 82.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.206 0.527 . . . . 0.0 110.981 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 22' ' ' ILE . 88.7 mt -111.89 137.01 50.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.994 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 m -71.99 41.65 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 24' ' ' LEU . 36.7 ptt-85 -76.07 162.98 27.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.469 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -69.1 97.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -64.66 -44.14 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.644 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -149.23 159.57 44.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 -19.42 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.759 -179.793 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 52.17 -164.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.694 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.49 HG21 ' O ' ' B' ' 59' ' ' CYS . 6.5 t -82.36 111.94 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.491 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -134.31 173.5 11.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.759 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.592 ' C ' HG23 ' B' ' 46' ' ' THR . 0.0 OUTLIER -121.31 160.35 24.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.15 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.592 HG23 ' C ' ' B' ' 45' ' ' ARG . 8.4 p 86.14 21.26 0.08 Allowed 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 124.951 1.407 . . . . 0.0 110.363 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.497 HD23 ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -137.42 -109.26 0.19 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.269 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.49 ' H ' HD12 ' B' ' 47' ' ' LEU . 2.3 tm0? -120.93 136.73 54.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 7.8 t -117.73 117.39 29.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.314 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -132.23 154.95 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.3 m -139.65 160.29 40.22 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.434 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' B' ' 58' ' ' THR . 9.1 ptm180 -151.84 150.22 29.87 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.34 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -63.26 144.99 56.46 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.159 0.505 . . . . 0.0 111.217 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.593 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 10.9 p -176.31 48.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' B' ' 54' ' ' VAL . 0.8 OUTLIER 90.83 -16.04 0.21 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.581 ' HD3' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER 175.66 40.64 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.584 -178.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' B' ' 56' ' ' ARG . 9.2 t-20 59.96 143.27 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.875 0.845 . . . . 0.0 110.792 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.466 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.3 OUTLIER -116.29 160.19 20.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.679 178.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.49 ' O ' HG21 ' B' ' 43' ' ' VAL . 8.2 t -112.08 111.96 23.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 124.962 1.414 . . . . 0.0 110.236 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 51.0 m -130.81 108.51 9.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.757 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 69.9 m -122.18 127.97 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' B' ' 48' ' ' GLN . 1.1 pp -154.58 173.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.529 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -95.22 20.2 9.55 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 94.4 mt 59.25 -161.47 0.26 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 74.33 0.54 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.605 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -135.24 156.88 48.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.277 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -86.3 109.63 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.275 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.515 ' O ' ' N ' ' B' ' 70' ' ' ALA . 0.1 OUTLIER -124.82 99.87 6.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 61.78 -70.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.415 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 68' ' ' THR . . . 60.88 77.26 0.33 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.106 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.546 179.844 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.77 0.319 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.615 ' CA ' ' HE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -68.51 157.89 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.504 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -57.77 -23.42 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.076 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 175.16 -164.36 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 14.0 mmp_? -99.9 -115.23 0.16 Allowed 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.699 HG22 ' O ' ' B' ' 47' ' ' LEU . 40.3 p -101.52 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.981 0.42 . . . . 0.0 111.425 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER 18.99 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.625 178.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.558 ' HA ' HG22 ' B' ' 46' ' ' THR . 3.9 tt0 -136.09 136.26 40.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -120.96 121.02 37.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.872 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.0 m -136.26 146.07 46.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.071 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -132.8 160.04 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 29' ' ' TYR . 22.6 ptt180 -148.4 146.07 28.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.512 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -54.61 147.92 13.45 Favored 'General case' 0 CA--C 1.515 -0.371 0 O-C-N 123.45 0.469 . . . . 0.0 110.864 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 14' ' ' VAL . 4.9 p 176.35 59.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.816 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 76.66 -15.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.948 0.404 . . . . 0.0 110.304 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 178.68 33.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.972 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 16' ' ' ARG . 49.5 m-80 58.62 147.06 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.521 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -114.16 156.58 23.98 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.583 ' O ' HG21 ' A' ' 3' ' ' VAL . 12.1 t -110.84 112.05 23.63 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.092 1.495 . . . . 0.0 110.809 -177.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -131.56 107.64 9.0 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.993 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -119.35 121.61 39.96 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.575 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -152.19 161.97 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.241 -177.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' HD22 ' A' ' 24' ' ' LEU . 15.4 ttt-85 -94.69 1.87 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.181 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 22' ' ' ILE . 4.3 mm? -108.05 122.77 47.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.4 m -67.23 -39.15 86.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.284 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -61.67 -40.55 95.34 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.713 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -94.65 120.7 35.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -129.9 -15.1 3.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 12' ' ' ARG . 77.5 t80 -144.25 137.43 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.33 153.36 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.577 ' N ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 5.1 tpp85 77.25 -147.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.506 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 42.3 t -73.82 109.92 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.124 0.488 . . . . 0.0 110.452 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -111.18 -141.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.67 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -92.2 -138.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.881 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 8' ' ' GLN . 75.4 p -73.74 -66.8 0.66 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 123.257 0.623 . . . . 0.0 112.44 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER 18.0 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.185 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.475 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 1.6 tm0? -136.64 139.94 42.41 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.468 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 40.5 t -118.27 127.11 53.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.989 -177.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -132.67 146.7 52.08 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.212 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.5 m -141.46 159.05 43.02 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.163 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.438 ' NE ' ' CZ ' ' B' ' 69' ' ' TYR . 16.0 ptt85 -154.52 142.3 20.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.395 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' B' ' 54' ' ' VAL . 56.0 ttp180 -54.25 150.92 7.88 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 123.613 0.57 . . . . 0.0 111.36 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.654 HG11 ' OG1' ' B' ' 58' ' ' THR . 4.7 p 171.47 78.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.817 1.323 . . . . 0.0 110.844 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.1 OUTLIER 64.19 -12.35 0.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 O-C-N 121.484 -0.76 . . . . 0.0 110.705 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.611 ' H ' ' C ' ' B' ' 54' ' ' VAL . 1.7 mtt180 169.86 23.19 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.255 1.026 . . . . 0.0 110.657 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 17' ' ' ASN . 1.3 t30 65.41 150.02 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.474 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.654 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -116.18 161.2 19.3 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.279 178.664 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 21.6 t -115.36 132.29 56.66 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 124.833 1.333 . . . . 0.0 110.67 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 77.3 p -152.11 113.74 4.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.025 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 74.4 m -117.17 126.08 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.616 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -159.56 153.31 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 123.992 0.808 . . . . 0.0 111.225 -177.449 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -81.79 -2.19 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.924 0.392 . . . . 0.0 111.068 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.31 -178.68 5.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -89.04 40.98 1.01 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.577 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 67' ' ' SER . 32.9 mtm105 61.99 -146.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 1.9 p 75.62 11.89 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.9 m -60.95 -46.42 90.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.438 ' CZ ' ' NE ' ' B' ' 52' ' ' ARG . 12.5 p90 -150.18 -7.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.15 93.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.611 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -120.92 133.84 55.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.207 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.674 HG11 ' H ' ' A' ' 21' ' ' CYS . 23.8 t -129.07 123.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.057 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -169.7 104.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.083 0.468 . . . . 0.0 110.203 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' CB ' HD21 ' A' ' 7' ' ' LEU . 96.2 mtt180 -152.83 -154.67 0.55 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.922 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -143.67 80.72 1.67 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.954 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -154.49 -91.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.506 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.6 tt0 -122.01 131.77 54.17 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.1 t -119.67 124.66 46.82 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.9 p -148.24 159.29 44.13 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.18 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -119.53 158.46 26.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.427 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' THR . 7.0 ttm180 -136.7 130.71 32.51 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -57.87 140.79 51.12 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.797 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.7 p 176.69 60.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-N 113.995 -1.457 . . . . 0.0 111.259 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' O ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 86.56 -20.02 0.25 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.929 -0.482 . . . . 0.0 110.273 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HD3' HG22 ' B' ' 54' ' ' VAL . 2.1 mtt180 175.18 39.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.471 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.533 ' O ' ' O ' ' A' ' 16' ' ' ARG . 15.1 m120 56.63 147.89 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.898 0.856 . . . . 0.0 110.708 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.648 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -117.39 163.02 16.99 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.365 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.6 ' O ' HG21 ' A' ' 3' ' ' VAL . 24.7 t -110.16 111.3 22.55 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.701 0.762 . . . . 0.0 111.55 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -133.3 119.59 19.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.674 ' H ' HG11 ' A' ' 3' ' ' VAL . 94.5 m -121.42 127.2 50.9 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.597 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -158.77 152.66 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 121.185 0.516 . . . . 0.0 111.733 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -75.77 -17.0 60.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 22' ' ' ILE . 97.4 mt -129.15 140.13 51.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.947 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -95.65 9.62 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 26' ' ' ARG . 9.8 ptm85 -57.69 -28.38 63.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 p -158.65 90.8 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.154 0.502 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.9 p -68.4 -38.39 81.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.654 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -159.29 134.75 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.679 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.29 151.65 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 55.24 37.92 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.23 -14.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -70.97 131.02 43.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -157.53 -178.14 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.4 p -142.7 74.94 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.597 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -156.28 -87.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.255 0.55 . . . . 0.0 112.453 -178.532 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.597 ' H ' HD12 ' B' ' 47' ' ' LEU . 7.1 tt0 -117.93 127.95 54.33 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -118.11 125.41 50.22 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.132 0.895 . . . . 0.0 112.787 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.8 m -135.51 152.85 51.73 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.873 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 8.6 m -129.86 149.84 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.587 ' NH1' ' CG ' ' B' ' 69' ' ' TYR . 10.4 ttt180 -132.91 139.52 47.41 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.25 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -55.02 140.02 39.14 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.67 0.747 . . . . 0.0 111.939 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.81 HG11 HG23 ' B' ' 58' ' ' THR . 14.5 p -179.46 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.492 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 8.0 t 65.42 -11.96 0.16 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.575 0.226 . . . . 0.0 110.559 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.554 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 176.85 36.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.546 0.688 . . . . 0.0 111.988 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.519 ' C ' HG12 ' B' ' 54' ' ' VAL . 0.8 OUTLIER 61.23 148.35 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.27 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.81 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -116.64 167.22 11.27 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.712 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 52.5 m -109.15 115.07 29.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 124.285 0.99 . . . . 0.0 111.771 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -131.06 107.02 8.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.645 ' O ' HG23 ' B' ' 62' ' ' ILE . 66.4 m -122.92 133.41 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.645 HG23 ' O ' ' B' ' 61' ' ' CYS . 1.0 OUTLIER -164.36 149.96 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.872 -177.11 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -71.6 -40.09 70.07 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.213 0.53 . . . . 0.0 111.269 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.492 ' O ' HD13 ' B' ' 62' ' ' ILE . 90.7 mt -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.769 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -60.85 -30.64 70.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -74.14 146.89 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t 72.33 98.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.864 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.1 p -117.4 -15.96 10.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.587 ' CG ' ' NH1' ' B' ' 52' ' ' ARG . 89.2 t80 -142.93 133.81 25.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.584 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.58 43.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.644 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.696 0.284 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 21' ' ' CYS . 12.4 tpp180 53.02 62.82 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.809 HG22 ' SG ' ' B' ' 51' ' ' CYS . 7.4 p -107.8 51.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.21 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.601 ' NH2' ' NH1' ' A' ' 5' ' ' ARG . 29.0 ttp180 -169.53 -138.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.002 0.43 . . . . 0.0 110.368 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' NH1' ' NH2' ' A' ' 4' ' ' ARG . 87.0 mmt-85 63.35 -135.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.502 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.561 HG22 ' HA ' ' B' ' 48' ' ' GLN . 32.8 p -137.55 -71.99 0.43 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.687 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER 12.55 -99.02 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.7 tp60 -126.44 135.07 50.92 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.489 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 12.0 t -118.64 121.86 41.17 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 124.032 0.833 . . . . 0.0 113.186 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -127.08 142.13 51.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.259 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.74 159.0 43.13 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 9.3 ptm85 -147.65 144.08 28.13 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.476 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.99 147.05 20.71 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.791 0.682 . . . . 0.0 112.611 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.4 p 175.72 66.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.455 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 73.67 -17.98 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.667 -0.646 . . . . 0.0 110.246 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.0 OUTLIER 179.8 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.594 0.711 . . . . 0.0 110.794 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 10.2 t-20 66.27 151.47 0.06 Allowed 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.849 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.454 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -116.65 159.07 22.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.391 178.268 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 3' ' ' VAL . 10.2 t -113.61 130.9 56.3 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 124.483 1.114 . . . . 0.0 112.063 -177.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -151.03 111.21 4.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.895 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' ARG . 74.7 m -118.34 128.06 54.29 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.668 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -156.47 165.94 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.738 -177.22 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -80.95 -11.04 59.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.71 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 22' ' ' ILE . 84.7 mt -121.92 120.45 34.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.17 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.9 m -62.01 -40.14 94.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.953 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -66.31 143.19 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t 57.95 108.49 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.709 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -133.02 -99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -60.41 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.04 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.84 133.67 52.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.501 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.769 0.319 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' VAL . 44.8 ttm180 -64.56 135.0 55.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.52 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.448 HG21 ' O ' ' B' ' 59' ' ' CYS . 2.7 t 53.69 106.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.204 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -133.52 168.3 18.89 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.71 ' H ' ' CD ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -114.95 159.01 21.24 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.85 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 11.5 p 84.56 29.0 0.06 Allowed 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 124.944 1.403 . . . . 0.0 110.668 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.451 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -143.18 -97.4 0.12 Allowed 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.297 -179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.561 ' HA ' HG22 ' A' ' 6' ' ' THR . 7.2 tp60 -135.08 138.63 44.02 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 21.1 t -118.75 131.95 56.13 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 123.85 0.719 . . . . 0.0 112.52 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 97.6 p -145.37 153.09 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.713 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.809 ' SG ' HG22 ' A' ' 3' ' ' VAL . 2.8 m -140.93 158.56 43.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.636 ' NH1' ' HB3' ' B' ' 70' ' ' ALA . 20.9 ptp180 -150.19 143.37 24.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.715 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -54.8 146.87 16.16 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.686 ' O ' HG22 ' B' ' 54' ' ' VAL . 3.8 p 175.95 66.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.63 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.07 -15.57 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.627 -0.671 . . . . 0.0 110.29 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.514 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.5 OUTLIER 176.8 27.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 121.598 0.713 . . . . 0.0 110.702 -179.591 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 52' ' ' ARG . 11.6 t-20 65.01 151.49 0.05 OUTLIER 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.035 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.534 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -116.16 159.82 21.24 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.425 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.448 ' O ' HG21 ' B' ' 43' ' ' VAL . 11.7 t -113.53 115.7 28.38 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 124.558 1.161 . . . . 0.0 110.463 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -130.33 107.77 9.51 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.913 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.419 ' O ' HG23 ' B' ' 62' ' ' ILE . 66.3 m -121.83 124.52 44.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.516 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -156.05 166.16 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.068 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -77.84 -1.17 30.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 110.147 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -95.65 172.45 8.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.062 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.7 p -65.24 -43.83 90.13 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.282 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 173.04 31.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.244 0.34 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 74.1 m -94.7 90.92 6.28 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.202 0.525 . . . . 0.0 110.787 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.587 HG23 ' O ' ' B' ' 68' ' ' THR . 9.6 t -168.94 115.16 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.559 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' B' ' 68' ' ' THR . 85.4 t80 57.68 151.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.691 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.636 ' HB3' ' NH1' ' B' ' 52' ' ' ARG . . . 57.9 30.38 19.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.548 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -101.58 17.87 21.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.647 HG13 ' H ' ' A' ' 21' ' ' CYS . 63.7 t -115.78 121.27 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.963 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -112.21 -163.42 0.85 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.775 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' C ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -143.23 173.12 11.87 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.556 HG23 ' C ' ' A' ' 5' ' ' ARG . 10.0 p 84.08 34.6 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 124.845 1.341 . . . . 0.0 111.323 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -149.93 -103.48 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.281 -179.276 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.556 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.0 tm0? -129.05 140.82 51.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' N ' ' OE1' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -118.71 133.16 56.05 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.042 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.5 p -142.69 157.0 45.11 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.821 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -134.76 153.37 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.936 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' THR . 50.4 ptt85 -146.04 146.75 31.07 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.481 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -54.18 145.06 18.19 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.565 0.698 . . . . 0.0 112.613 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.9 p -177.47 51.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.236 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 77.84 -14.22 0.87 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 121.618 -0.676 . . . . 0.0 109.351 -178.216 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -179.45 38.24 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.405 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.813 HD21 ' H ' ' B' ' 59' ' ' CYS . 0.1 OUTLIER 60.11 143.34 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.119 -179.452 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -117.05 165.09 13.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.19 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 58' ' ' THR . 47.4 t -109.88 127.84 54.97 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.568 1.168 . . . . 0.0 111.305 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.7 p -146.07 110.69 5.14 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.855 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.647 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -118.18 126.72 52.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.98 172.34 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.337 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -96.38 50.51 1.15 Allowed 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 25' ' ' SER . 57.3 mt 67.28 -157.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.43 1.081 . . . . 0.0 110.863 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 79.23 11.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.877 -179.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 37.75 -137.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.5 p 49.03 66.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.859 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -124.85 115.07 20.07 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 109.977 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' CD2' ' CZ ' ' A' ' 12' ' ' ARG . 77.1 t80 37.53 81.47 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.98 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.26 155.03 37.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.763 0.316 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.09 144.46 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.858 HG21 ' O ' ' B' ' 59' ' ' CYS . 22.0 t -95.18 54.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.596 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 73.21 160.66 0.24 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.54 ' O ' ' OG1' ' B' ' 46' ' ' THR . 23.4 ptt180 -161.88 164.66 28.51 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.414 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.54 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 15.5 p 84.47 33.35 0.04 OUTLIER 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.827 1.33 . . . . 0.0 111.387 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.516 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -150.15 -98.29 0.07 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.587 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' H ' HD12 ' B' ' 47' ' ' LEU . 2.9 tt0 -127.3 137.64 52.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 7.2 t -118.17 125.61 50.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.518 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' B' ' 60' ' ' SER . 94.9 p -133.06 153.82 51.13 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.734 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.461 ' SG ' HG11 ' A' ' 3' ' ' VAL . 4.5 m -129.49 149.36 51.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' B' ' 58' ' ' THR . 15.4 ttt180 -136.48 150.05 48.5 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.816 0.341 . . . . 0.0 110.544 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' B' ' 54' ' ' VAL . 5.0 tpt180 -74.97 146.25 41.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.52 0.676 . . . . 0.0 111.68 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.612 ' O ' HG22 ' B' ' 54' ' ' VAL . 3.8 p -177.7 67.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 80.84 -5.41 1.71 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.546 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER 179.15 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.906 0.86 . . . . 0.0 110.789 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' B' ' 56' ' ' ARG . 0.4 OUTLIER 171.83 154.78 0.08 Allowed 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.173 -178.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.611 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -126.34 155.87 41.35 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.858 ' O ' HG21 ' B' ' 43' ' ' VAL . 45.6 t -113.27 122.04 46.24 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 123.943 0.777 . . . . 0.0 111.578 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.556 ' HA ' HG11 ' B' ' 43' ' ' VAL . 78.4 p -142.04 110.51 6.07 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.175 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 68.2 m -118.02 127.75 54.12 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.626 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -156.86 154.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.471 -177.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -91.37 4.51 52.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.876 HD13 ' NH2' ' B' ' 66' ' ' ARG . 84.2 mt -111.84 138.34 48.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 85.9 p -76.69 -10.73 59.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.876 ' NH2' HD13 ' B' ' 64' ' ' LEU . 96.3 mtm-85 -66.39 158.48 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.105 0.479 . . . . 0.0 110.998 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -48.66 119.73 3.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.45 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.587 HG23 ' N ' ' B' ' 69' ' ' TYR . 14.5 t -79.65 -45.87 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.942 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.587 ' N ' HG23 ' B' ' 68' ' ' THR . 72.9 t80 -139.07 129.83 26.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.683 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.61 ' HB3' HH12 ' B' ' 52' ' ' ARG . . . 65.54 -170.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.537 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.695 0.283 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -133.74 133.4 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.9 117.46 54.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.187 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 47.8 ttt180 -172.1 -137.34 0.02 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.441 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 93.9 mtt-85 62.74 -136.56 0.43 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.248 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.576 HG22 ' HA ' ' B' ' 48' ' ' GLN . 25.4 p -135.04 -73.09 0.47 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.54 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER 16.73 -98.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.622 ' HA ' HG22 ' B' ' 46' ' ' THR . 3.1 tp60 -125.58 135.82 52.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.76 120.59 32.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.416 1.073 . . . . 0.0 112.732 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.559 ' CB ' HH12 ' B' ' 42' ' ' ARG . 64.7 m -130.04 146.95 51.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.838 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.05 158.83 41.77 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.607 HH22 ' CB ' ' A' ' 20' ' ' SER . 9.4 ptp85 -149.54 143.09 25.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.478 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -55.64 149.33 14.3 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 111.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.9 p 173.28 68.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 124.698 1.249 . . . . 0.0 111.509 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.66 -16.0 0.47 Allowed 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.542 -0.723 . . . . 0.0 110.632 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 177.55 15.83 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.288 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t-20 76.64 150.23 0.11 Allowed 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.366 -178.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.468 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -116.33 159.86 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.687 178.276 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.89 127.74 56.11 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.577 1.173 . . . . 0.0 111.075 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.607 ' CB ' HH22 ' A' ' 12' ' ' ARG . 40.8 p -142.82 107.92 4.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.146 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' ILE . 73.3 m -119.29 124.39 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -158.51 169.99 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.483 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' C ' HD22 ' A' ' 24' ' ' LEU . 96.0 mtt180 -91.62 4.98 51.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 110.272 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 22' ' ' ILE . 4.2 mm? -97.88 126.66 43.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.8 p -70.11 -19.56 63.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.25 152.74 43.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.087 0.47 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.3 t -87.77 109.44 19.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.6 m -110.06 104.67 13.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 30' ' ' ALA . 48.4 t80 -123.18 130.53 52.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . -63.94 144.49 57.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.745 ' N ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.618 0.247 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.559 HH12 ' CB ' ' A' ' 10' ' ' SER . 95.5 mtt-85 -113.78 130.99 56.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.55 HG21 ' O ' ' B' ' 59' ' ' CYS . 56.1 t -63.28 -41.22 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.15 -166.52 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -89.05 -109.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 8' ' ' GLN . 15.2 p -115.85 -62.45 1.59 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.768 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 18.16 -99.26 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 179.129 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.576 ' HA ' HG22 ' A' ' 6' ' ' THR . 1.8 tm0? -124.62 144.11 50.35 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.524 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 42.6 t -118.15 125.32 50.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.837 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' B' ' 60' ' ' SER . 46.6 m -135.81 139.04 43.18 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.598 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.549 ' CB ' HD21 ' B' ' 57' ' ' ASN . 2.6 m -134.76 159.73 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.577 HH22 ' CB ' ' B' ' 60' ' ' SER . 9.6 ptp85 -151.69 146.56 25.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.878 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 67.8 ttt180 -55.05 151.49 8.94 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.683 0.614 . . . . 0.0 111.808 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.681 ' O ' HG22 ' B' ' 54' ' ' VAL . 3.4 p 171.02 68.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.736 1.273 . . . . 0.0 111.568 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 70.45 -23.1 0.17 Allowed 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.779 -0.575 . . . . 0.0 110.48 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -175.66 31.22 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.523 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.549 HD21 ' CB ' ' B' ' 51' ' ' CYS . 19.4 t-20 58.52 149.97 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.077 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.575 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -115.74 160.89 19.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.116 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.55 ' O ' HG21 ' B' ' 43' ' ' VAL . 17.0 t -112.58 115.48 28.68 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.607 1.192 . . . . 0.0 111.486 -177.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.577 ' CB ' HH22 ' B' ' 52' ' ' ARG . 57.3 m -132.0 109.44 10.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.803 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -117.45 124.35 48.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.6 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -158.34 150.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.158 -177.031 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -79.53 -19.35 49.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.962 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.49 ' O ' HD13 ' B' ' 62' ' ' ILE . 88.1 mt -142.85 -130.14 0.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m 48.63 55.65 8.75 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.071 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -48.45 -19.97 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.454 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -129.22 110.76 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.467 HG23 ' O ' ' B' ' 68' ' ' THR . 2.0 t -147.41 102.74 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' B' ' 70' ' ' ALA . 55.8 t80 -151.03 133.96 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.966 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.42 ' O ' ' CE2' ' B' ' 69' ' ' TYR . . . -63.91 142.0 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.627 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.842 0.353 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 55.42 44.37 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.54 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.562 HG21 ' SG ' ' A' ' 19' ' ' CYS . 7.8 t -67.46 121.84 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 110.487 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 99.5 mtt180 -124.51 -167.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.419 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.543 ' O ' HD23 ' A' ' 7' ' ' LEU . 14.0 ptp180 -145.61 159.37 43.23 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 84.04 24.59 0.11 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.921 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -139.69 -102.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.454 -179.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 tt0 -129.07 140.03 51.76 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 40.7 t -116.7 118.3 32.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.157 -177.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' B' ' 59' ' ' CYS . 65.8 m -137.27 149.74 47.32 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.1 m -129.59 155.23 46.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.339 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 18' ' ' THR . 14.0 ttt-85 -131.8 141.69 49.53 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.003 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -56.95 143.59 37.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.182 0.515 . . . . 0.0 111.558 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 14' ' ' VAL . 5.0 p 173.37 65.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 76.27 -14.56 0.79 Allowed 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.603 -0.686 . . . . 0.0 110.357 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 17' ' ' ASN . 7.2 mtt180 168.69 57.17 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.545 ' O ' ' O ' ' A' ' 16' ' ' ARG . 9.2 m-20 53.15 162.7 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.337 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.643 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.6 m -119.84 165.16 14.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.688 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 17.1 t -106.06 108.56 20.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.869 1.355 . . . . 0.0 110.501 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' SER . 54.7 m -143.65 109.23 5.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.004 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' A' ' 3' ' ' VAL . 18.0 m -118.02 123.43 45.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -155.48 149.86 11.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.572 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -76.52 -18.38 58.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.028 0.442 . . . . 0.0 110.913 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' 22' ' ' ILE . 76.5 mt -107.03 123.17 47.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.185 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -64.46 -39.87 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.925 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -63.72 143.3 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.48 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t 57.14 99.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -110.28 -25.51 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -160.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 143.73 54.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.589 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' B' ' 44' ' ' ARG . 61.2 ttp180 -133.35 117.95 17.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' B' ' 61' ' ' CYS . 0.4 OUTLIER -87.79 -24.08 6.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.071 0.462 . . . . 0.0 110.614 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.473 ' CZ ' ' O ' ' B' ' 61' ' ' CYS . 5.3 tpp85 -164.76 -157.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.89 -116.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.066 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.461 ' O ' ' C ' ' B' ' 47' ' ' LEU . 7.0 p -123.68 -62.95 1.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.535 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.516 ' CG ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 18.46 -95.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.004 0.815 . . . . 0.0 113.014 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 61.0 tt0 -141.74 144.26 33.92 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 4.7 t -118.21 136.92 53.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.599 0.562 . . . . 0.0 110.633 -178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.488 ' N ' ' O ' ' B' ' 60' ' ' SER . 70.1 m -127.23 156.38 41.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.756 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.417 ' SG ' ' OD1' ' B' ' 57' ' ' ASN . 2.0 t -120.03 155.1 33.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.458 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 46.8 ptt85 -159.08 136.61 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.332 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 53' ' ' ARG . 0.2 OUTLIER -61.86 145.36 52.96 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.299 0.571 . . . . 0.0 111.363 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 1.024 HG11 HG23 ' B' ' 58' ' ' THR . 10.1 p -174.54 63.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.044 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 64.86 -4.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 111.029 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.614 ' HG2' HG21 ' A' ' 14' ' ' VAL . 2.4 tpt85 -178.06 0.61 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.607 0.718 . . . . 0.0 111.671 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' B' ' 52' ' ' ARG . 8.8 t-20 74.45 135.39 0.05 Allowed 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.125 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . 1.024 HG23 HG11 ' B' ' 54' ' ' VAL . 3.0 p -121.79 164.43 17.46 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.317 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -114.28 129.12 56.63 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.65 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 50' ' ' SER . 55.6 m -118.65 126.43 51.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -117.02 129.19 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.754 -179.221 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.496 ' H ' HD12 ' B' ' 62' ' ' ILE . 0.8 OUTLIER -156.27 156.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.628 -179.056 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -79.52 5.17 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.733 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.407 ' O ' HD13 ' B' ' 62' ' ' ILE . 85.9 mt -102.48 160.58 14.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.071 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -61.37 -37.73 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.344 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' B' ' 67' ' ' SER . 17.5 ptm180 -164.66 148.08 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 0.4 OUTLIER 160.96 103.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.712 HG23 ' H ' ' B' ' 69' ' ' TYR . 0.0 OUTLIER -165.28 -92.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.759 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.712 ' H ' HG23 ' B' ' 68' ' ' THR . 63.2 t80 -59.62 -49.0 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.01 93.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.741 0.305 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 3' ' ' VAL . 72.3 mtp85 55.64 40.33 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.608 HG11 ' SG ' ' B' ' 51' ' ' CYS . 40.0 t 40.31 94.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.583 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 24.8 mmm180 -82.64 -163.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' C ' HG23 ' A' ' 6' ' ' THR . 23.8 ptt180 -158.88 167.34 29.68 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.228 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.566 HG23 ' C ' ' A' ' 5' ' ' ARG . 8.0 p 82.2 44.88 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 O-C-N 124.716 1.26 . . . . 0.0 110.396 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -161.8 -100.28 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.159 -178.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.643 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 tt0 -126.62 139.19 53.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -118.06 126.36 52.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.958 0.786 . . . . 0.0 112.281 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.2 p -131.74 148.6 52.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.218 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -139.01 159.96 40.9 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.113 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 8.7 ptm85 -149.98 143.09 24.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.755 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -51.61 149.39 4.53 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.597 0.56 . . . . 0.0 111.92 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 14' ' ' VAL . 4.0 p 172.21 63.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.763 1.289 . . . . 0.0 111.267 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.57 -17.61 0.43 Allowed 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.54 -0.725 . . . . 0.0 110.34 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.525 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.4 OUTLIER 178.08 35.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' ARG . 3.7 t-20 59.65 151.67 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.484 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.512 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -115.94 159.43 21.6 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -113.31 124.86 53.46 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.787 1.305 . . . . 0.0 111.626 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -146.93 117.05 7.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.005 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -118.28 123.96 46.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -154.26 159.22 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.798 -177.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtp180 -78.73 -4.44 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 110.399 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.05 145.64 31.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.008 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.8 m -100.77 7.71 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -147.98 159.54 43.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.941 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.2 p 54.76 77.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.19 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -71.65 -41.39 68.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.194 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -158.71 134.12 8.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.685 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.2 152.56 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 55.12 47.03 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.525 HG21 ' O ' ' B' ' 59' ' ' CYS . 12.1 t -112.29 121.47 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -132.15 -172.79 2.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.56 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.535 ' O ' HD23 ' B' ' 47' ' ' LEU . 28.5 ptt180 -137.24 160.25 39.57 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER 85.13 22.34 0.09 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.498 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.535 HD23 ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -138.07 -106.94 0.18 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.001 -178.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' H ' HD12 ' B' ' 47' ' ' LEU . 7.5 tp60 -124.07 137.19 54.61 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 9.7 t -118.52 128.5 54.64 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 90.5 p -140.22 156.79 46.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.775 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.608 ' SG ' HG11 ' A' ' 3' ' ' VAL . 2.3 m -138.97 159.81 41.25 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.362 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 49.4 ptt85 -147.43 139.12 24.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.399 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -50.19 150.0 2.64 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.523 0.514 . . . . 0.0 111.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.713 ' O ' HG22 ' B' ' 54' ' ' VAL . 4.2 p 170.93 64.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 124.742 1.276 . . . . 0.0 111.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -15.98 0.44 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.583 -0.698 . . . . 0.0 110.576 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.514 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 176.37 35.23 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.847 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' B' ' 56' ' ' ARG . 74.1 m-20 57.37 150.9 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.726 0.775 . . . . 0.0 110.747 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.536 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -115.32 161.76 18.05 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.525 ' O ' HG21 ' B' ' 43' ' ' VAL . 5.9 t -110.74 115.35 29.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 124.909 1.381 . . . . 0.0 110.83 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p -131.61 108.51 9.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 62.6 m -123.35 126.37 46.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.438 ' C ' HD12 ' B' ' 47' ' ' LEU . 1.1 pp -153.33 172.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.523 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -89.85 1.41 56.21 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.272 0.558 . . . . 0.0 109.598 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 64' ' ' LEU . 10.0 mp -92.89 170.07 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.785 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -60.89 -43.41 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 179.91 51.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 39.4 t -104.05 121.49 43.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' H ' ' B' ' 69' ' ' TYR . 0.0 OUTLIER -156.54 -97.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.578 ' H ' HG23 ' B' ' 68' ' ' THR . 79.9 t80 -131.7 128.55 39.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.45 153.35 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.697 0.284 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 24.17 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 p -62.99 -10.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 31.4 ptt-85 -128.42 116.42 19.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.762 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' H ' ' HB3' ' B' ' 49' ' ' CYS . 76.5 mtp180 -157.76 -134.15 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 48' ' ' GLN . 9.1 p -133.09 -75.17 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.628 0.251 . . . . 0.0 110.6 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 8.36 -90.64 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.566 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' HG22 ' B' ' 46' ' ' THR . 0.0 OUTLIER -131.29 137.53 48.86 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.72 120.2 37.25 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.162 0.914 . . . . 0.0 112.434 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -130.61 146.7 52.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.016 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.36 157.25 40.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' THR . 52.0 ptt85 -152.37 160.6 43.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 14' ' ' VAL . 73.1 ttt180 -85.67 159.09 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.207 0.527 . . . . 0.0 111.198 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 7.2 p -172.42 -21.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.678 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 166.96 -15.93 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.366 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -179.41 31.7 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.13 -177.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 9.3 t-20 76.83 131.46 0.05 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.737 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -117.41 158.67 24.06 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.498 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' B' ' 58' ' ' THR . 18.8 t -115.94 133.16 56.32 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.985 0.803 . . . . 0.0 111.796 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -146.81 115.37 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.143 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.2 m -117.82 120.17 37.1 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -156.05 151.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 HH12 ' CD1' ' A' ' 24' ' ' LEU . 30.8 ptt85 -87.14 -4.41 59.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' HH12 ' A' ' 23' ' ' ARG . 92.1 mt -129.48 141.57 50.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.013 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.4 p -66.05 -22.04 66.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.45 144.64 54.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.516 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m 53.07 63.4 2.25 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.166 0.507 . . . . 0.0 111.016 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.7 p -65.15 -26.02 68.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.61 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 13.8 p90 -148.02 160.77 42.5 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' TYR . . . -63.8 143.77 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.463 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.62 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.59 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.536 0.208 . . . . 0.0 110.661 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -126.3 135.98 52.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.84 -40.97 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -146.51 -154.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.836 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -102.06 -96.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.451 0.643 . . . . 0.0 112.733 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 8' ' ' GLN . 15.4 p -125.85 -68.2 0.84 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.818 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.561 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 19.25 -106.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.249 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.561 ' H ' HD12 ' B' ' 47' ' ' LEU . 3.8 tt0 -117.71 137.81 52.43 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 5.4 t -117.93 117.38 29.11 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.884 0.74 . . . . 0.0 111.586 -177.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -128.63 150.22 50.32 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.061 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -134.19 156.67 47.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.314 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' B' ' 58' ' ' THR . 1.8 ttt85 -141.79 141.23 33.17 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.639 0.257 . . . . 0.0 110.965 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -52.54 141.16 20.98 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.634 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.735 ' O ' HG13 ' B' ' 54' ' ' VAL . 10.9 p -178.34 62.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.233 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.4 -14.56 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.138 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 177.71 35.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.745 0.783 . . . . 0.0 110.889 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.594 ' C ' HG12 ' B' ' 54' ' ' VAL . 0.9 OUTLIER 61.51 148.37 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.207 -178.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.686 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -114.65 162.38 16.86 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 28.6 t -110.98 112.59 24.53 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 124.448 1.093 . . . . 0.0 110.92 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -131.48 108.67 9.75 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.912 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.5 ' O ' HG23 ' B' ' 62' ' ' ILE . 77.7 m -119.67 130.51 55.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.515 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -160.06 169.8 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.533 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.04 3.89 53.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.489 ' O ' HD13 ' B' ' 62' ' ' ILE . 83.6 mt -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.147 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -61.51 -40.23 93.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.876 0.37 . . . . 0.0 110.437 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.84 150.15 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.87 -43.38 98.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m 63.92 58.34 1.23 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.44 133.45 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' B' ' 71' ' ' SER . . . 63.88 43.06 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.581 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 70' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.818 0.342 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -70.11 142.74 52.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 4.8 p -85.84 16.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -126.95 -130.52 0.23 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.122 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HB2' HD21 ' A' ' 7' ' ' LEU . 75.4 mtp85 64.0 -137.72 0.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.229 0.956 . . . . 0.0 111.189 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.641 HG22 ' HA ' ' B' ' 48' ' ' GLN . 24.5 p -133.09 -74.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.504 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 19.64 -100.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.864 0.728 . . . . 0.0 112.007 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' B' ' 46' ' ' THR . 5.2 tt0 -124.44 136.49 54.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -123.53 125.42 44.85 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.316 1.01 . . . . 0.0 112.815 -178.445 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.1 p -140.08 150.07 43.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.697 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' H ' ' HD3' ' B' ' 42' ' ' ARG . 2.2 m -134.75 157.73 45.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.472 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 9.2 ptm85 -146.54 151.39 37.26 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.609 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -52.94 149.09 6.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.4 p 178.94 47.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.032 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 82.06 -13.46 0.86 Allowed 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.941 -0.474 . . . . 0.0 109.842 -179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.503 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -177.77 18.21 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.873 -179.384 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' C ' HG12 ' A' ' 14' ' ' VAL . 8.3 t-20 79.54 145.59 0.09 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.707 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -114.77 155.64 26.34 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.414 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 14.8 t -110.26 124.23 51.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 124.866 1.354 . . . . 0.0 111.177 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.481 ' HA ' HG23 ' A' ' 3' ' ' VAL . 25.3 m -145.68 107.79 4.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.867 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 22' ' ' ILE . 78.1 m -120.26 124.83 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -158.08 157.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 123.614 0.571 . . . . 0.0 111.773 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' HD2' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -89.12 -21.2 23.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.392 0.615 . . . . 0.0 111.048 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB3' ' H ' ' A' ' 25' ' ' SER . 84.6 mt -145.59 -153.43 0.48 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.371 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 24' ' ' LEU . 49.4 m 57.79 39.31 27.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.985 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -40.9 149.46 0.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.508 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.8 m 55.3 40.3 31.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.5 m -56.09 -39.05 71.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.624 ' CE2' ' NH2' ' A' ' 12' ' ' ARG . 57.6 t80 -56.17 -46.95 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.35 143.7 56.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.828 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.545 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.779 0.323 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HD3' ' H ' ' A' ' 11' ' ' CYS . 49.6 mmt-85 46.71 93.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.413 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.25 -40.16 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.219 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -149.46 -155.13 0.6 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -96.75 -104.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.799 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 8' ' ' GLN . 22.8 p -119.79 -64.8 1.22 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.285 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.548 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 19.16 -109.27 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 O-C-N 123.894 0.746 . . . . 0.0 112.165 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HA ' HG22 ' A' ' 6' ' ' THR . 2.5 tt0 -116.58 145.24 43.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.99 126.77 52.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.724 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 60' ' ' SER . 49.3 m -139.46 141.32 37.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.177 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.4 m -128.22 157.66 40.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.935 0.398 . . . . 0.0 110.486 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' B' ' 58' ' ' THR . 51.9 ptt85 -148.93 160.23 43.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.154 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 50.9 ttp180 -83.31 164.0 20.32 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.759 0.314 . . . . 0.0 111.063 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 16' ' ' ARG . 5.7 p -178.14 -29.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.91 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 175.9 -12.98 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.896 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER 179.08 27.93 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.441 -178.498 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 19.2 t30 79.46 130.5 0.05 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.645 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.467 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.39 159.44 21.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 35.4 t -112.57 133.56 54.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 124.195 0.934 . . . . 0.0 111.971 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 50' ' ' SER . 62.5 m -149.52 108.26 3.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.193 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.407 ' O ' HG23 ' B' ' 62' ' ' ILE . 92.2 m -118.52 126.12 51.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.634 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -157.08 154.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.82 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -100.38 8.08 43.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 87.5 mt -101.07 142.2 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.3 p -74.76 -9.45 58.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' B' ' 67' ' ' SER . 38.7 ptt180 -137.74 166.16 24.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 1.8 p 80.01 106.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.427 HG23 ' O ' ' B' ' 68' ' ' THR . 1.5 t -160.64 103.96 1.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.706 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' B' ' 69' ' ' TYR . 67.4 t80 41.16 85.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.427 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.68 152.63 42.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.343 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.761 HG21 ' O ' ' A' ' 19' ' ' CYS . 64.2 t -107.19 118.68 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.693 ' NH1' HH22 ' A' ' 23' ' ' ARG . 83.7 mtp180 -84.25 -167.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' C ' HG23 ' A' ' 6' ' ' THR . 25.2 ptt180 -156.95 170.72 21.87 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.575 HG23 ' C ' ' A' ' 5' ' ' ARG . 10.8 p 84.54 39.24 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 124.688 1.242 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.569 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -157.18 -102.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.673 -178.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.569 ' H ' HD12 ' A' ' 7' ' ' LEU . 4.7 tt0 -118.81 135.38 54.56 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 6.3 t -118.66 115.18 23.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.599 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.7 p -120.97 153.48 37.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.541 ' SG ' HG12 ' B' ' 43' ' ' VAL . 14.1 m -133.94 150.48 51.31 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.14 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.726 ' O ' ' N ' ' A' ' 18' ' ' THR . 17.5 ttm180 -138.88 153.91 48.33 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.679 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.5 ttt-85 -68.96 143.89 54.29 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.331 0.586 . . . . 0.0 112.002 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 14' ' ' VAL . 12.5 p -178.59 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER 91.23 -10.63 0.26 Allowed 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 176.76 -42.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.295 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.603 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 167.18 156.2 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.99 -178.122 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.726 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -119.34 154.24 33.87 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.428 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.761 ' O ' HG21 ' A' ' 3' ' ' VAL . 22.9 t -109.74 112.29 24.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.269 0.981 . . . . 0.0 110.375 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -137.64 109.1 6.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.017 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.756 ' H ' HG13 ' A' ' 3' ' ' VAL . 67.9 m -121.55 128.0 51.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -158.27 166.82 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.609 -177.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.693 HH22 ' NH1' ' A' ' 4' ' ' ARG . 10.0 ptp85 -93.61 9.5 36.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.933 0.397 . . . . 0.0 110.533 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 27' ' ' SER . 97.6 mt -70.48 159.87 33.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -59.84 -44.02 94.31 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -175.38 22.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.706 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.432 ' HB3' HD13 ' A' ' 24' ' ' LEU . 29.4 t -89.35 115.06 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.511 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' TYR . 5.7 p -145.27 102.1 3.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.563 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' THR . 3.1 m-30 58.27 121.12 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.427 0.632 . . . . 0.0 110.041 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.12 139.79 58.02 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.653 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.562 -179.766 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -131.35 143.3 50.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.541 HG12 ' SG ' ' A' ' 11' ' ' CYS . 4.1 p -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.044 0.45 . . . . 0.0 110.254 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.19 -165.5 0.1 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.838 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.577 HH21 HH22 ' B' ' 63' ' ' ARG . 91.2 mtm180 -87.87 -115.8 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 8' ' ' GLN . 11.0 p -111.15 -60.76 1.79 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.951 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.474 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 17.6 -95.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' H ' HD12 ' B' ' 47' ' ' LEU . 2.1 tt0 -134.13 141.26 47.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -115.6 138.13 51.38 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.575 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 92.6 p -149.21 159.84 43.9 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.219 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.24 151.62 47.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.137 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' B' ' 58' ' ' THR . 3.7 ptt180 -141.63 164.45 30.19 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.52 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' B' ' 54' ' ' VAL . 8.2 tmm_? -100.19 159.09 15.38 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.216 0.531 . . . . 0.0 111.687 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.711 HG11 HG23 ' B' ' 58' ' ' THR . 7.2 p -171.04 -31.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.67 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.533 ' SG ' HG13 ' B' ' 54' ' ' VAL . 1.6 p 178.17 -9.77 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.831 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.438 ' H ' ' H ' ' B' ' 55' ' ' CYS . 1.2 tpt180 178.64 37.31 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.603 ' O ' ' O ' ' A' ' 17' ' ' ASN . 45.5 t30 69.8 133.48 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.711 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -119.9 165.9 14.02 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.805 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 18' ' ' THR . 7.1 t -111.09 132.81 53.95 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.477 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 54.0 m -150.77 113.21 4.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.447 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' B' ' 43' ' ' VAL . 1.8 m -118.23 124.6 48.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.621 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -154.1 152.63 9.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.1 -177.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.577 HH22 HH21 ' B' ' 45' ' ' ARG . 15.7 ptp180 -97.52 1.97 49.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.973 0.416 . . . . 0.0 110.631 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' B' ' 66' ' ' ARG . 76.6 mt -126.8 156.28 41.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.199 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 t -67.11 9.46 0.21 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' B' ' 68' ' ' THR . 8.4 ptp180 -60.15 -27.41 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.535 ' O ' ' N ' ' B' ' 69' ' ' TYR . 48.9 m 54.16 15.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.888 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.504 ' H ' ' HG3' ' B' ' 66' ' ' ARG . 9.5 m 58.87 -75.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' B' ' 67' ' ' SER . 83.3 t80 -113.36 126.96 55.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.28 154.51 36.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.614 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.739 0.304 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.03 154.19 51.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.527 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 1.8 m -97.22 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 13.0 ttt85 175.67 138.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.336 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 157.99 -133.31 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.003 0.814 . . . . 0.0 109.932 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 47' ' ' LEU . 33.7 p -132.26 -62.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.199 -0.313 . . . . 0.0 111.317 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 0.66 -95.03 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.568 1.168 . . . . 0.0 113.348 -179.313 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.6 tp60 -133.28 135.69 45.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.87 126.88 53.22 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.019 0.824 . . . . 0.0 113.072 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -138.86 151.29 46.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.053 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' B' ' 43' ' ' VAL . 2.5 m -136.69 159.13 42.74 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 50.2 ptt85 -146.79 146.38 30.24 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -59.19 147.55 34.94 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.804 0.69 . . . . 0.0 112.112 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.1 p 174.07 70.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.328 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 70.64 -13.15 0.49 Allowed 'General case' 0 C--N 1.317 -0.821 0 O-C-N 121.854 -0.529 . . . . 0.0 110.632 -179.375 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' HD3' HG22 ' B' ' 54' ' ' VAL . 0.1 OUTLIER 170.85 22.62 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 122.179 0.99 . . . . 0.0 110.914 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER 71.35 150.59 0.1 Allowed 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.783 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -117.43 162.32 18.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.032 178.505 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 58' ' ' THR . 13.4 t -113.39 126.63 55.57 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.275 0.984 . . . . 0.0 111.216 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -144.48 109.43 5.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.933 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -117.98 123.54 46.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -155.59 155.14 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.992 -177.142 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -72.5 -5.09 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.49 166.76 13.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -152.39 65.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.277 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -143.42 50.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.288 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 47.21 91.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.573 . . . . 0.0 110.258 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -60.67 -31.4 70.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 1.1 t80 -135.87 -130.46 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.963 0.411 . . . . 0.0 110.126 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.612 ' N ' ' CG ' ' A' ' 29' ' ' TYR . . . 179.72 162.05 0.92 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.388 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' CYS . 21.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -156.24 149.86 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.01 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.808 HG21 ' O ' ' B' ' 59' ' ' CYS . 68.4 t -65.19 -42.29 93.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.065 0.459 . . . . 0.0 109.954 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -152.52 -157.38 0.79 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -95.16 -91.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.456 ' CG2' ' NE2' ' A' ' 8' ' ' GLN . 42.1 p -122.87 -64.4 1.18 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.554 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.535 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 15.63 -103.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.632 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.535 ' H ' HD12 ' B' ' 47' ' ' LEU . 1.3 tp-100 -126.48 139.95 52.84 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' ARG . 29.5 t -118.83 126.04 50.93 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.237 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 53.2 m -136.3 145.68 45.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.78 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -136.3 156.4 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.627 ' NH1' ' CD1' ' B' ' 69' ' ' TYR . 10.8 ptm180 -148.12 152.7 37.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.079 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -56.81 145.3 29.89 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.293 0.568 . . . . 0.0 112.249 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.83 ' O ' HG13 ' B' ' 54' ' ' VAL . 4.8 p -176.86 51.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.705 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.467 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 80.36 -11.58 1.13 Allowed 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.192 -0.943 . . . . 0.0 109.118 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.4 OUTLIER 177.92 21.21 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.874 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.625 ' C ' HG12 ' B' ' 54' ' ' VAL . 8.3 t-20 76.87 146.61 0.09 Allowed 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.055 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.551 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -116.24 159.42 21.86 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.808 ' O ' HG21 ' B' ' 43' ' ' VAL . 20.1 t -111.89 122.36 47.57 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.618 1.199 . . . . 0.0 111.213 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.9 m -142.47 108.9 5.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.102 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.435 ' O ' HG23 ' B' ' 62' ' ' ILE . 76.5 m -119.07 126.52 51.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.52 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -158.15 168.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.482 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -84.87 -0.53 54.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.078 0.466 . . . . 0.0 110.146 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 87.5 mt -87.28 151.6 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.294 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.7 m -112.89 48.22 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.671 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -151.03 169.27 22.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 96.5 p -42.9 117.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.249 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -83.65 -13.94 53.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.543 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.627 ' CD1' ' NH1' ' B' ' 52' ' ' ARG . 55.9 t80 -59.95 -48.83 80.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.61 136.72 42.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' VAL . 19.7 ptp180 -62.99 155.75 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.416 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.617 HG11 ' SG ' ' B' ' 51' ' ' CYS . 57.4 t 39.53 92.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 20.5 ttt180 -75.21 -165.28 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.271 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.516 ' O ' HD23 ' A' ' 7' ' ' LEU . 37.3 ptt85 -158.11 167.38 30.02 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.204 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 85.39 25.82 0.07 Allowed 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 123.521 0.513 . . . . 0.0 109.751 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -139.97 -106.73 0.16 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 -178.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.563 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.4 tm0? -114.95 138.23 51.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 8.7 t -118.66 126.85 52.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.287 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p -145.69 161.01 40.86 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.741 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' SG ' HG21 ' B' ' 43' ' ' VAL . 73.7 m -123.65 158.55 31.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 18' ' ' THR . 39.7 ptt180 -143.94 152.48 41.15 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.516 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -78.16 153.51 32.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.694 0.759 . . . . 0.0 111.852 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' H ' ' H ' ' A' ' 15' ' ' CYS . 14.8 p -171.8 -18.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.556 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 162.84 -22.34 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.823 -178.74 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.87 38.33 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.73 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' B' ' 57' ' ' ASN . 24.3 t30 67.62 134.86 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -118.74 168.7 10.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.874 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' O ' HG21 ' A' ' 3' ' ' VAL . 9.6 t -106.06 121.52 44.3 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.776 0.673 . . . . 0.0 112.13 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -139.6 109.04 6.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.79 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.57 ' H ' HG13 ' A' ' 3' ' ' VAL . 85.8 m -119.39 127.32 53.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -158.73 163.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.996 -177.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -84.25 -0.81 53.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 110.054 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.23 165.35 20.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.651 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.9 m -77.84 49.26 0.76 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.992 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 60.84 30.32 19.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.791 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -109.18 95.62 5.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.381 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.32 -60.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.485 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -59.41 -49.37 78.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.668 0.27 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -106.91 118.25 36.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.524 HG21 ' SG ' ' A' ' 11' ' ' CYS . 47.0 t -124.75 103.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.497 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.515 ' H ' ' HB2' ' B' ' 61' ' ' CYS . 0.0 OUTLIER -86.89 -147.99 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.027 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -103.34 -74.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.509 HG22 ' HA ' ' A' ' 8' ' ' GLN . 12.5 p -120.52 -76.29 0.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.538 HD23 ' N ' ' B' ' 47' ' ' LEU . 0.2 OUTLIER 17.36 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.535 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.619 ' NE2' HH21 ' B' ' 66' ' ' ARG . 4.1 tm0? -136.74 138.36 40.88 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.444 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 5.0 t -122.17 133.58 54.73 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.976 0.797 . . . . 0.0 112.473 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.459 ' OG ' ' NE ' ' B' ' 66' ' ' ARG . 54.7 m -138.4 153.36 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.456 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.617 ' SG ' HG11 ' A' ' 3' ' ' VAL . 43.7 m -125.37 156.12 39.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.667 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -149.94 156.71 42.22 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.46 HH12 ' HA ' ' B' ' 56' ' ' ARG . 1.3 ttt85 -73.66 147.2 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.846 0.831 . . . . 0.0 112.74 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.794 ' O ' HG13 ' B' ' 54' ' ' VAL . 11.0 p -174.97 65.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 113.827 -1.533 . . . . 0.0 110.167 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 0.2 OUTLIER 77.88 -3.31 2.39 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.512 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.46 ' HA ' HH12 ' B' ' 53' ' ' ARG . 1.1 tpt85 179.73 -56.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.118 0.961 . . . . 0.0 110.535 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.534 ' C ' HG12 ' B' ' 54' ' ' VAL . 6.0 m-20 167.06 166.29 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.49 -178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.632 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -149.54 158.91 44.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.282 178.269 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -117.13 128.13 54.83 Favored 'General case' 0 N--CA 1.427 -1.577 0 O-C-N 124.762 1.289 . . . . 0.0 112.044 -178.565 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 67.4 m -124.97 113.56 17.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.139 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.641 ' O ' HG23 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -117.64 122.2 42.95 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.641 HG23 ' O ' ' B' ' 61' ' ' CYS . 1.0 OUTLIER -165.49 152.02 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.691 0.758 . . . . 0.0 112.032 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -81.85 8.8 9.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.478 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.9 mt -88.53 -172.25 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -91.61 30.13 1.39 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.263 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.619 HH21 ' NE2' ' B' ' 48' ' ' GLN . 98.8 mtt180 62.44 -160.7 0.3 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 53.2 m 56.05 29.51 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.417 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.9 m -62.83 -46.5 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -105.79 -46.98 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.28 148.45 34.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.452 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.232 0.15 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -128.29 146.16 50.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 3.4 p -69.88 -15.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.673 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -115.13 109.92 18.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -153.79 -153.91 0.49 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.056 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 p -143.65 80.27 1.66 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 110.378 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.618 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -156.07 -99.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.246 -178.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.2 tt0 -110.25 128.18 55.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -117.57 122.09 42.72 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 124.158 0.911 . . . . 0.0 113.084 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.8 m -133.26 142.43 48.51 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.077 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 m -131.52 158.86 39.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.318 0.58 . . . . 0.0 110.856 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 17.5 ptm180 -148.79 145.39 27.54 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.066 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 65.3 ttt180 -53.05 157.24 1.83 Allowed 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.847 0.717 . . . . 0.0 110.738 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 14' ' ' VAL . 4.6 p 163.86 66.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 124.333 1.021 . . . . 0.0 110.89 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.29 -19.79 0.24 Allowed 'General case' 0 C--N 1.311 -1.104 0 O-C-N 121.924 -0.485 . . . . 0.0 110.639 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 179.85 34.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.138 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER 59.21 148.09 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.611 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.595 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -113.66 157.11 22.58 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 15.4 t -113.22 122.6 47.97 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 124.672 1.232 . . . . 0.0 111.417 -177.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -142.71 108.3 5.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.533 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' O ' HG23 ' A' ' 22' ' ' ILE . 80.6 m -118.53 126.92 53.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -156.46 165.73 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.755 -177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -97.78 8.47 44.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 22' ' ' ILE . 85.0 mt -105.34 154.19 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -39.92 91.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.53 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -65.39 141.93 58.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.9 p -62.95 -34.71 78.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m 66.71 46.74 1.68 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -60.15 -49.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.03 142.84 54.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.704 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.727 0.298 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -103.11 19.61 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 3.0 p -65.7 -4.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.653 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 45' ' ' ARG . 36.2 ptt-85 -145.52 152.25 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.518 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.485 ' HB3' ' H ' ' B' ' 46' ' ' THR . 12.5 mtt85 163.93 -140.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.656 0.598 . . . . 0.0 110.556 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.485 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 2.6 p -142.13 79.19 1.66 Allowed 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.641 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -153.72 -100.99 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.005 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' H ' HD12 ' B' ' 47' ' ' LEU . 5.2 tt0 -111.99 130.89 55.71 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 36.6 t -116.4 123.82 48.5 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.968 0.792 . . . . 0.0 113.03 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 62.0 m -136.42 143.25 43.83 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.203 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.44 160.46 39.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.223 0.535 . . . . 0.0 110.757 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.544 HH12 ' HB3' ' B' ' 70' ' ' ALA . 17.4 ptm180 -146.81 147.34 30.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.291 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' B' ' 54' ' ' VAL . 7.8 tmm_? -57.25 151.07 16.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.662 0.601 . . . . 0.0 110.343 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.675 ' O ' HG22 ' B' ' 54' ' ' VAL . 4.0 p 172.65 66.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.031 0.832 . . . . 0.0 110.913 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.54 -18.85 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.739 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.534 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -177.07 12.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.999 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 8.2 t-20 80.88 148.24 0.09 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.739 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.552 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -113.37 155.51 25.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.531 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 18.9 t -111.19 122.36 47.66 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.313 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 58.7 m -142.07 107.22 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.135 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.522 ' O ' HG23 ' B' ' 62' ' ' ILE . 80.2 m -121.91 128.54 51.68 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.558 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -159.07 169.03 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.744 -178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -105.63 8.54 33.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.834 0.349 . . . . 0.0 110.71 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 62' ' ' ILE . 90.2 mt -119.45 153.48 35.2 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -87.07 10.24 17.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.407 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -57.83 151.12 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 98.1 p -56.69 121.05 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.437 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.5 p -92.61 88.86 6.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.617 ' O ' ' HB3' ' B' ' 70' ' ' ALA . 61.9 t80 55.57 94.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 69' ' ' TYR . . . 76.22 -155.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.527 HD23 ' H1 ' ' A' ' 1' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 0.0 110.531 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -104.65 17.02 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.852 HG21 ' O ' ' A' ' 19' ' ' CYS . 65.0 t -111.13 113.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -174.75 71.91 0.03 OUTLIER 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.83 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.2 mpt_? -136.09 -141.24 0.17 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 7' ' ' LEU . 68.9 p -140.46 -82.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.528 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 16.72 -90.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 124.102 0.876 . . . . 0.0 112.015 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.622 ' HA ' HG22 ' B' ' 46' ' ' THR . 2.3 tp60 -131.74 136.55 47.68 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t -119.33 119.91 35.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.955 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.2 m -134.72 146.06 49.08 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.445 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -130.62 157.23 43.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -136.25 138.03 41.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.715 179.118 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -51.46 143.94 11.06 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 123.653 0.596 . . . . 0.0 110.824 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.737 HG11 HG23 ' A' ' 18' ' ' THR . 14.4 p 177.13 64.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.877 1.361 . . . . 0.0 111.637 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 70.51 -14.77 0.4 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.837 0.351 . . . . 0.0 110.22 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER 178.25 34.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.807 0.813 . . . . 0.0 111.223 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.553 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER 60.79 151.4 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.456 0.646 . . . . 0.0 110.395 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.737 HG23 HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -114.52 160.42 19.26 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.692 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.852 ' O ' HG21 ' A' ' 3' ' ' VAL . 61.5 m -108.88 120.47 42.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 124.734 1.271 . . . . 0.0 111.662 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -145.48 105.38 4.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.233 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' ILE . 76.5 m -119.69 121.4 39.15 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -157.39 156.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.997 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.41 -3.76 22.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.4 mt -83.56 135.4 34.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.8 m -65.95 -40.22 91.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -71.42 147.21 48.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.3 m -74.5 120.4 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.393 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -93.63 97.42 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.192 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -114.07 130.16 56.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.977 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.96 151.7 37.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.639 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.599 ' N ' ' NH2' ' B' ' 45' ' ' ARG . 2.0 mp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.93 0.395 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.485 ' NH1' ' OG1' ' B' ' 68' ' ' THR . 17.2 ptp180 -67.54 173.74 3.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.485 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.824 HG13 ' O ' ' B' ' 59' ' ' CYS . 55.5 t 59.92 32.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -174.09 -152.83 0.05 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.599 ' NH2' ' N ' ' B' ' 41' ' ' LEU . 99.5 mtt180 60.0 -133.98 0.81 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.813 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 8' ' ' GLN . 60.7 p -135.89 -75.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 19.97 -104.81 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.721 0.638 . . . . 0.0 112.285 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' H ' HD12 ' B' ' 47' ' ' LEU . 1.6 tp60 -116.82 139.72 50.27 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 3' ' ' VAL . 39.3 t -118.42 130.06 55.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.523 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 51.3 m -144.17 158.84 43.49 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.851 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 58' ' ' THR . 5.8 t -139.06 160.26 40.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.034 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 46.6 ptt85 -152.64 139.24 18.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' B' ' 54' ' ' VAL . 62.1 ttt180 -53.53 154.25 3.7 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 123.939 0.775 . . . . 0.0 110.859 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.638 HG11 ' OG1' ' B' ' 58' ' ' THR . 4.5 p 165.99 73.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 125.117 1.51 . . . . 0.0 111.488 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 64.23 -13.28 0.1 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.461 -0.774 . . . . 0.0 110.646 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.618 ' H ' ' C ' ' B' ' 54' ' ' VAL . 1.8 mtt180 172.38 30.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.347 1.07 . . . . 0.0 110.831 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' B' ' 52' ' ' ARG . 0.7 OUTLIER 59.45 148.96 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.838 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.638 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -116.26 154.97 29.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.207 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.824 ' O ' HG13 ' B' ' 43' ' ' VAL . 34.1 t -110.45 114.49 27.95 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 124.812 1.32 . . . . 0.0 110.93 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -131.33 114.48 15.05 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.443 ' O ' HG23 ' B' ' 62' ' ' ILE . 94.3 m -118.36 123.88 46.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.584 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -159.24 152.25 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 123.867 0.73 . . . . 0.0 111.675 -177.251 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -73.74 -16.15 61.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.186 0.517 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.06 149.82 42.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.004 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.1 p -88.75 -12.21 42.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -93.98 150.66 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 66.9 m -74.91 112.51 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.467 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.485 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 13.5 t -55.22 -17.85 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.53 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' B' ' 52' ' ' ARG . 88.7 t80 -60.25 129.66 42.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.531 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.97 154.88 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.635 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.899 0.381 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -94.31 123.29 37.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 40.3 t -128.82 132.49 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' HB3' HD11 ' A' ' 7' ' ' LEU . 7.1 tpt180 -116.29 -142.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.027 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' H ' HD21 ' A' ' 7' ' ' LEU . 89.1 mtm180 -94.89 -103.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.201 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.501 HG22 ' HA ' ' B' ' 48' ' ' GLN . 16.1 p -101.64 -70.64 0.74 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.553 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD12 ' C ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER 22.63 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.036 0.835 . . . . 0.0 112.374 179.134 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.77 139.94 51.17 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.88 124.45 47.15 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.874 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 m -129.43 154.28 47.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.406 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' SG ' HG11 ' B' ' 43' ' ' VAL . 23.5 m -128.21 147.68 50.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.758 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.677 ' O ' ' N ' ' A' ' 18' ' ' THR . 21.0 ttt-85 -134.93 147.24 49.74 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.897 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -62.14 141.69 58.02 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.353 0.597 . . . . 0.0 111.402 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 14' ' ' VAL . 10.0 p -175.44 60.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.833 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 69.22 -12.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.909 -0.495 . . . . 0.0 110.021 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.8 OUTLIER 176.91 49.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.04 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.626 ' C ' HG12 ' A' ' 14' ' ' VAL . 82.8 m-20 55.48 151.92 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.721 0.772 . . . . 0.0 110.409 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -119.17 161.23 20.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.155 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 34.9 t -108.93 117.25 33.72 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 124.235 0.959 . . . . 0.0 110.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.0 m -139.01 110.44 6.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.388 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' H ' ' HA ' ' A' ' 3' ' ' VAL . 1.6 m -117.72 122.29 43.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.8 ' C ' HD12 ' A' ' 7' ' ' LEU . 1.1 pp -147.91 169.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.472 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -103.23 5.32 37.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.15 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.3 149.14 22.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.757 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -82.99 -6.27 59.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -139.79 158.89 43.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.53 98.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.059 0.457 . . . . 0.0 110.877 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.2 p -110.87 -21.71 11.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.688 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD1' ' CD ' ' A' ' 12' ' ' ARG . 1.2 p90 -149.32 157.88 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.176 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.44 -5.45 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.642 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.28 154.36 39.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.476 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.55 HG11 ' SG ' ' A' ' 11' ' ' CYS . 68.8 t -126.44 121.86 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.247 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.42 ' HG3' ' H ' ' B' ' 45' ' ' ARG . 11.3 tpp180 -113.41 -157.51 0.62 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.3 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.494 ' O ' HD23 ' B' ' 47' ' ' LEU . 13.2 ptm180 -165.16 162.99 20.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER 83.84 27.92 0.09 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.123 0.487 . . . . 0.0 109.967 179.137 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.564 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -147.48 -101.38 0.09 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.914 -179.534 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.564 ' H ' HD12 ' B' ' 47' ' ' LEU . 1.1 tm0? -117.06 135.79 53.45 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 5.1 t -117.55 121.14 40.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.582 -177.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -129.7 154.81 46.79 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.202 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -129.19 148.49 51.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.89 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.596 ' O ' ' N ' ' B' ' 58' ' ' THR . 22.6 ttt-85 -135.99 148.33 48.4 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.001 0.429 . . . . 0.0 110.626 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' B' ' 54' ' ' VAL . 0.7 OUTLIER -72.87 148.82 44.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.619 ' O ' HG22 ' B' ' 54' ' ' VAL . 7.7 p 179.28 64.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.244 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.5 OUTLIER 83.74 -5.12 1.15 Allowed 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.787 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 175.98 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 17' ' ' ASN . 5.6 m-20 166.47 149.92 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.027 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.596 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -121.59 158.84 27.69 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.709 179.197 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.53 115.95 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.88 0.738 . . . . 0.0 110.914 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -135.72 108.19 7.38 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.024 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 72.9 m -121.45 126.05 48.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.641 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -159.27 152.47 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.491 -177.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -66.92 -39.39 87.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.297 0.57 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 65' ' ' SER . 99.5 mt -142.56 -159.89 1.03 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.416 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.8 OUTLIER 81.03 40.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.982 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -42.55 139.51 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.625 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.4 m 53.85 50.34 17.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.408 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -60.74 -45.12 95.5 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.106 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.538 ' CE1' ' CZ ' ' B' ' 52' ' ' ARG . 0.6 OUTLIER -104.43 -135.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.151 0.5 . . . . 0.0 110.393 179.335 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 62.51 47.88 4.79 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.375 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.63 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.34 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -127.37 144.81 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.1 p -141.03 97.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -175.01 -140.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HB2' HD21 ' A' ' 7' ' ' LEU . 84.5 mtp180 59.72 -135.04 0.8 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.805 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.562 HG22 ' O ' ' B' ' 47' ' ' LEU . 23.2 p -129.38 -71.93 0.61 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 18.09 -102.05 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -179.589 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -128.63 136.86 51.25 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.566 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.21 118.92 33.16 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.24 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 20' ' ' SER . 58.2 m -127.11 148.19 50.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.93 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 43' ' ' VAL . 25.5 m -133.34 151.55 51.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.128 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 18' ' ' THR . 17.7 ttm180 -132.37 157.23 45.05 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 6.1 tmm_? -71.82 145.86 48.37 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.413 0.625 . . . . 0.0 111.301 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 14' ' ' VAL . 13.2 p -176.08 68.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.369 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 74.59 -4.55 2.31 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.167 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 179.72 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.491 0.663 . . . . 0.0 111.874 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.644 ' C ' HG12 ' A' ' 14' ' ' VAL . 5.1 m-20 164.59 153.39 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.233 -1.348 . . . . 0.0 111.169 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.691 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -121.59 162.06 21.29 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' B' ' 58' ' ' THR . 33.9 m -108.63 125.68 52.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.267 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.48 ' CB ' HG21 ' A' ' 28' ' ' THR . 30.0 p -150.9 107.62 3.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.911 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.67 ' H ' HG23 ' A' ' 3' ' ' VAL . 67.0 m -127.33 125.94 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -158.92 167.63 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.14 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -85.12 -0.62 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.546 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' HD13 ' A' ' 22' ' ' ILE . 79.9 mt -92.64 162.98 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.22 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.96 -44.42 96.79 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.891 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 27' ' ' SER . 8.4 ptm180 -175.91 -162.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER 82.53 28.59 0.12 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.48 HG21 ' CB ' ' A' ' 20' ' ' SER . 91.0 m -71.36 -46.56 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 111.208 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.61 ' CD2' ' NH1' ' A' ' 12' ' ' ARG . 92.5 t80 -63.86 131.98 49.43 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 45.01 32.39 0.85 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' SER . 33.9 t . . . . . 0 C--N 1.332 -0.18 0 CA-C-O 120.963 0.411 . . . . 0.0 110.517 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.554 ' NH2' ' CZ ' ' B' ' 44' ' ' ARG . 82.2 mtp180 -127.86 142.02 51.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.297 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.65 HG11 ' HA ' ' B' ' 60' ' ' SER . 20.4 t -107.31 43.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.554 ' CZ ' ' NH2' ' B' ' 42' ' ' ARG . 6.3 ptm85 -102.93 117.2 34.07 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.014 0.435 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -154.02 -133.38 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.818 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.501 ' O ' ' C ' ' B' ' 47' ' ' LEU . 76.0 p -141.96 -78.8 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.562 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER 8.1 -101.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.239 0.962 . . . . 0.0 113.212 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.45 ' H ' HD12 ' B' ' 47' ' ' LEU . 2.4 tt0 -124.93 143.88 50.64 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 35.9 t -117.04 132.27 56.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.948 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.0 t -144.56 162.3 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.693 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.587 ' SG ' ' ND2' ' B' ' 57' ' ' ASN . 1.0 OUTLIER -127.62 161.57 28.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.753 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' B' ' 58' ' ' THR . 6.4 ptm180 -153.73 163.65 39.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.095 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 75.7 ttt180 -102.58 158.16 16.42 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.744 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.531 HG11 HG23 ' B' ' 58' ' ' THR . 7.3 p -174.94 -19.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 169.04 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.289 -178.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.5 OUTLIER -178.3 43.14 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.523 0.678 . . . . 0.0 110.657 -177.532 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.595 ' O ' ' O ' ' A' ' 17' ' ' ASN . 42.3 t30 61.87 130.48 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.559 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -118.74 164.4 15.44 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.245 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 3.8 t -111.0 129.54 55.86 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 124.055 0.847 . . . . 0.0 112.329 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.65 ' HA ' HG11 ' B' ' 43' ' ' VAL . 78.3 p -145.21 112.82 6.27 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.462 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.517 ' H ' ' CG1' ' B' ' 43' ' ' VAL . 87.9 m -118.6 129.4 55.3 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.619 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -157.79 150.7 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -178.133 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -89.93 -23.63 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.065 0.459 . . . . 0.0 111.09 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 97.1 mt -112.92 148.68 34.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.118 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -80.27 54.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.815 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -65.69 153.51 41.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t -53.0 115.53 1.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.211 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.33 100.23 7.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.855 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' B' ' 70' ' ' ALA . 28.2 p90 -56.76 -30.12 63.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.527 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' B' ' 69' ' ' TYR . . . 40.08 -122.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.694 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.718 0.294 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.87 137.16 47.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.221 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' CG1' ' H ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -70.9 -19.23 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.143 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 179.22 -163.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.939 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' NH2' ' NH2' ' A' ' 23' ' ' ARG . 90.2 mtm180 -96.84 -115.62 0.13 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.229 0.538 . . . . 0.0 112.41 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.765 HG22 ' O ' ' B' ' 47' ' ' LEU . 34.8 p -100.3 -64.13 1.07 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.265 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER 18.16 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 113.28 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.624 ' HA ' HG22 ' B' ' 46' ' ' THR . 4.9 tt0 -140.77 136.59 32.65 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.3 127.62 53.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.654 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.4 p -140.24 152.52 46.01 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.692 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.646 ' SG ' HG13 ' B' ' 43' ' ' VAL . 3.1 m -135.4 158.45 44.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 20.5 ptp180 -146.67 140.4 25.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.322 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -52.15 151.63 3.71 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.817 0.698 . . . . 0.0 111.704 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.4 p 170.03 67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 124.686 1.241 . . . . 0.0 111.226 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.1 -16.84 0.39 Allowed 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.684 -0.635 . . . . 0.0 110.608 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 177.36 22.87 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER 68.9 150.89 0.08 Allowed 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.002 -179.579 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.04 160.52 19.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -111.9 116.27 30.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 O-C-N 125.022 1.451 . . . . 0.0 110.491 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -137.19 109.15 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.03 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 77.4 m -119.14 124.41 46.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -154.08 152.63 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.318 -177.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 19.6 ptp180 -86.57 -26.37 24.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.371 0.605 . . . . 0.0 110.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HB3' ' H ' ' A' ' 25' ' ' SER . 86.2 mt -145.92 -161.47 1.32 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.683 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 24' ' ' LEU . 51.1 m 60.04 20.56 9.7 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.706 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 38.62 -118.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.757 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.4 m -78.3 113.38 16.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -63.86 -44.17 93.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.686 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' O ' ' NH1' ' A' ' 12' ' ' ARG . 76.5 t80 -91.69 129.4 37.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.2 150.16 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.655 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.885 0.374 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -72.84 143.42 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.043 0.449 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.646 HG13 ' SG ' ' A' ' 11' ' ' CYS . 70.4 t 56.61 70.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.565 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.468 ' H ' ' HB2' ' B' ' 61' ' ' CYS . 1.2 mmp_? -85.11 -134.57 0.05 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -107.3 -59.31 1.84 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.689 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.624 HG22 ' HA ' ' A' ' 8' ' ' GLN . 72.7 p -135.76 -78.17 0.43 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.487 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.802 HD12 ' C ' ' B' ' 62' ' ' ILE . 0.2 OUTLIER 20.4 -104.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.177 -179.58 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' B' ' 62' ' ' ILE . 10.4 tp60 -116.21 140.17 49.58 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.0 t -118.79 126.73 52.51 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.091 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -133.52 147.37 51.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.146 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -138.22 159.41 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 58' ' ' THR . 36.7 ptt-85 -150.54 141.23 22.67 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.516 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -51.89 151.26 3.62 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.659 0.6 . . . . 0.0 111.774 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.7 ' O ' HG22 ' B' ' 54' ' ' VAL . 4.0 p 170.82 64.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.744 1.277 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.0 -16.48 0.46 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.601 -0.687 . . . . 0.0 110.458 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.7 OUTLIER 177.34 32.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.935 -179.429 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 56' ' ' ARG . 5.7 t-20 60.4 149.32 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.751 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.557 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -115.03 160.73 19.26 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.227 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.485 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 20.9 t -111.98 130.39 55.87 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 124.734 1.271 . . . . 0.0 110.754 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -151.23 110.64 3.97 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.48 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.553 ' H ' ' H ' ' B' ' 43' ' ' VAL . 72.2 m -117.86 129.95 55.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.802 ' C ' HD12 ' B' ' 47' ' ' LEU . 0.7 OUTLIER -145.89 172.61 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.554 -177.141 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.711 ' H ' ' CD ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -90.66 -11.34 40.09 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.901 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.732 ' O ' HD13 ' B' ' 62' ' ' ILE . 93.6 mt -127.49 140.04 52.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 94.6 p -62.11 -26.18 68.15 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.823 0.344 . . . . 0.0 110.663 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' B' ' 67' ' ' SER . 45.0 mtm105 -73.24 153.2 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.64 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 0.6 OUTLIER 80.28 103.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.483 ' O ' ' N ' ' B' ' 70' ' ' ALA . 5.0 t -164.52 25.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 110.749 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' B' ' 70' ' ' ALA . 42.6 t80 55.83 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -124.76 139.24 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.461 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -156.77 168.24 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.766 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.795 HG21 ' O ' ' A' ' 19' ' ' CYS . 90.2 t -97.36 116.14 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.873 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -71.18 -175.97 1.33 Allowed 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' O ' HD23 ' A' ' 7' ' ' LEU . 30.1 ptt180 -154.36 172.82 17.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.504 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 84.26 28.79 0.07 Allowed 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -144.74 -101.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.095 -179.063 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.43 138.43 54.59 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.7 t -119.21 128.68 54.44 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.0 p -137.5 142.98 41.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.992 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m -129.94 156.64 44.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 18' ' ' THR . 20.3 ptp180 -146.33 147.13 31.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.593 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -54.96 142.33 30.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.695 0.759 . . . . 0.0 112.16 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.9 p -176.59 56.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.336 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.95 -14.77 0.76 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 109.923 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HG2' HG11 ' B' ' 54' ' ' VAL . 0.5 OUTLIER 178.56 39.29 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.241 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.595 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.7 OUTLIER 59.68 148.22 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.896 -178.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.62 HG23 HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -116.22 160.04 20.98 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.622 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.795 ' O ' HG21 ' A' ' 3' ' ' VAL . 30.0 t -109.91 112.91 25.23 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.873 1.358 . . . . 0.0 111.255 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -133.6 108.37 8.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.081 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.757 ' H ' HG13 ' A' ' 3' ' ' VAL . 81.4 m -120.5 127.63 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -156.07 154.19 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.599 -177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -90.5 -3.81 57.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 22' ' ' ILE . 88.3 mt -112.83 129.65 56.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.715 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -63.36 -41.52 98.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -73.4 147.35 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.448 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t 60.67 98.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.13 0.491 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -106.98 -18.17 13.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.78 -139.28 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.269 0.557 . . . . 0.0 110.408 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.39 41.13 7.87 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.929 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.753 ' N ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -64.25 140.66 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.419 HG11 ' H ' ' B' ' 61' ' ' CYS . 46.7 t -62.29 -41.27 90.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.458 ' HD3' ' H ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -156.32 -163.14 1.39 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.458 ' H ' ' HD3' ' B' ' 44' ' ' ARG . 77.7 mtp85 -89.91 -97.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 8' ' ' GLN . 14.4 p -116.92 -65.15 1.22 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.46 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 62' ' ' ILE . 0.1 OUTLIER 18.8 -99.62 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.061 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' HD21 ' B' ' 64' ' ' LEU . 3.9 tt0 -131.68 141.21 49.53 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -118.35 128.9 55.08 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.096 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -138.95 147.67 42.55 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.102 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.51 149.72 49.19 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' B' ' 58' ' ' THR . 7.6 ttt-85 -141.19 154.15 45.69 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 120.752 0.31 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' B' ' 52' ' ' ARG . 77.6 ttt-85 -88.67 156.62 18.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.194 0.521 . . . . 0.0 110.998 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.482 HG11 ' HG2' ' A' ' 16' ' ' ARG . 9.3 p -169.51 -19.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.04 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 168.42 -16.19 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.404 -178.683 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.6 OUTLIER -179.0 32.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.412 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 28.5 t30 74.3 131.53 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.978 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.515 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.3 OUTLIER -116.22 161.46 18.93 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.545 179.228 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' THR . 5.7 t -112.97 136.88 52.15 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 124.196 0.935 . . . . 0.0 111.033 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' B' ' 70' ' ' ALA . 26.8 m -152.81 107.52 3.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.745 178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.419 ' H ' HG11 ' B' ' 43' ' ' VAL . 80.0 m -123.85 126.39 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.504 ' C ' HD12 ' B' ' 47' ' ' LEU . 1.1 pp -155.59 171.23 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.616 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -94.78 19.55 9.93 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' B' ' 48' ' ' GLN . 86.4 mt 62.66 -160.98 0.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.863 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t 70.96 9.31 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.671 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.08 170.97 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.037 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' B' ' 68' ' ' THR . 74.3 m -60.21 -40.63 90.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.407 HG22 ' HB3' ' B' ' 70' ' ' ALA . 4.2 m 39.32 75.05 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.757 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -49.66 -20.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.488 ' HB2' ' OG ' ' B' ' 60' ' ' SER . . . -61.17 -39.77 91.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.388 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.513 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.694 0.283 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' NH1' ' NH2' ' A' ' 5' ' ' ARG . 25.8 mmt85 -124.06 134.69 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.197 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.767 HG22 ' SG ' ' B' ' 51' ' ' CYS . 12.2 p -174.04 41.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.974 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 17.4 ttm180 -165.05 -144.82 0.08 Allowed 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.054 0.454 . . . . 0.0 110.213 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' NH2' ' NH1' ' A' ' 2' ' ' ARG . 65.8 mtm180 61.15 -134.85 0.63 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 75.1 p -131.51 -71.46 0.56 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.196 0.522 . . . . 0.0 111.838 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 15.37 -96.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' HA ' HG22 ' B' ' 46' ' ' THR . 5.9 tp60 -130.49 133.06 45.97 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.57 127.59 49.65 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 124.306 1.004 . . . . 0.0 112.949 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -141.64 153.12 44.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.629 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -137.86 159.88 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 36.2 ptt-85 -147.32 145.17 29.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.503 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -57.31 147.42 25.73 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 14' ' ' VAL . 2.9 p 174.66 70.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.358 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 70.78 -12.23 0.57 Allowed 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.67 -0.644 . . . . 0.0 110.63 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HD3' HG22 ' B' ' 54' ' ' VAL . 1.3 mtt180 169.8 23.67 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.1 0.952 . . . . 0.0 110.7 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 6.8 t-20 69.59 149.56 0.08 Allowed 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.947 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.518 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -117.25 160.56 20.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 113.48 -1.691 . . . . 0.0 108.97 178.292 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 t -114.17 132.6 56.03 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 111.52 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -149.73 109.39 4.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.162 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.56 123.59 45.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -155.12 165.71 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.141 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.05 1.99 33.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.537 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -96.73 162.22 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.328 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m -94.24 -3.36 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -70.99 149.85 46.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.154 0.502 . . . . 0.0 111.244 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.1 p -67.2 -21.24 65.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.757 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m 59.83 54.28 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' CE2' ' O ' ' A' ' 30' ' ' ALA . 49.3 t80 -107.59 128.0 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . -64.98 141.87 58.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.637 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.637 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 121.062 0.458 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' CYS . 11.6 mpt_? -102.09 23.78 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 52.7 t -85.02 105.1 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.663 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -112.68 -142.68 0.38 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.89 -131.28 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 8' ' ' GLN . 46.6 p -82.67 -64.87 1.09 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.688 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.547 HD12 ' C ' ' B' ' 62' ' ' ILE . 0.1 OUTLIER 17.35 -86.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.676 -1.147 . . . . 0.0 113.593 179.132 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.471 ' OE1' ' N ' ' B' ' 49' ' ' CYS . 1.3 tm0? -136.76 139.13 41.63 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' CYS . . . . . 0.471 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 37.3 t -118.02 126.75 52.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.391 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -134.33 143.63 47.81 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.729 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.767 ' SG ' HG22 ' A' ' 3' ' ' VAL . 3.3 m -140.79 157.39 45.47 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' B' ' 69' ' ' TYR . 16.1 ptm180 -152.9 153.48 33.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.045 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -55.5 145.44 22.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 112.015 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.871 ' O ' HG13 ' B' ' 54' ' ' VAL . 4.5 p -176.29 57.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.296 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 75.62 -11.47 1.11 Allowed 'General case' 0 C--N 1.312 -1.033 0 O-C-N 120.536 -1.352 . . . . 0.0 109.333 -178.678 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.4 OUTLIER 175.95 21.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.875 -179.387 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.668 ' C ' HG12 ' B' ' 54' ' ' VAL . 8.6 t-20 76.25 144.22 0.08 Allowed 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.341 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.24 156.72 24.85 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.779 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' CYS . . . . . 0.46 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 9.7 t -114.07 132.05 56.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.817 1.323 . . . . 0.0 111.419 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 82.3 p -153.99 113.31 3.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.776 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' B' ' 42' ' ' ARG . 73.6 m -117.87 125.75 51.09 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.547 ' C ' HD12 ' B' ' 47' ' ' LEU . 1.0 OUTLIER -154.83 161.81 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.304 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -89.49 33.91 0.82 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 65' ' ' SER . 83.9 mt 60.61 -157.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.9 OUTLIER 80.25 10.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.884 -179.665 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -161.13 156.71 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -63.73 -40.16 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.338 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.764 HG22 ' O ' ' B' ' 68' ' ' THR . 89.2 m 57.22 38.89 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.621 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' TYR . . . . . 0.523 ' O ' ' NH1' ' B' ' 52' ' ' ARG . 38.6 p90 34.14 32.34 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.694 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -60.58 -39.77 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.757 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.953 0.406 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' NH2' ' CZ ' ' A' ' 4' ' ' ARG . 17.6 ptm180 -150.18 159.8 44.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.367 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.717 HG21 ' O ' ' A' ' 19' ' ' CYS . 23.5 t -128.85 129.04 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' CZ ' ' NH2' ' A' ' 2' ' ' ARG . 39.8 ttm180 -170.63 144.79 2.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.167 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' HD3' ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 169.39 -165.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.656 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.407 ' H ' ' HD3' ' A' ' 5' ' ' ARG . 63.5 p -142.53 74.28 1.44 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.792 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -150.84 -96.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.273 0.559 . . . . 0.0 112.276 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.687 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.0 tt0 -113.81 123.16 49.16 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -116.46 117.43 29.9 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.947 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -124.27 145.36 49.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.343 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.71 153.02 48.58 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 18' ' ' THR . 7.7 ttm180 -138.73 141.42 38.89 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.42 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.77 139.91 31.47 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 121.452 0.644 . . . . 0.0 111.239 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 14' ' ' VAL . 14.0 p 179.7 69.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 113.963 -1.472 . . . . 0.0 110.905 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 4.9 t 67.08 -11.48 0.27 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.452 0.168 . . . . 0.0 110.657 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 174.89 32.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.745 0.783 . . . . 0.0 111.236 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.557 ' C ' HG12 ' A' ' 14' ' ' VAL . 10.7 t-20 65.09 153.92 0.06 Allowed 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.786 -0.766 . . . . 0.0 110.29 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.747 HG23 HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -114.58 157.14 23.44 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.717 ' O ' HG21 ' A' ' 3' ' ' VAL . 18.2 t -115.68 115.85 27.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 124.443 1.09 . . . . 0.0 111.457 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.555 ' HA ' HG11 ' A' ' 3' ' ' VAL . 69.0 m -132.98 120.03 20.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.275 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.703 ' SG ' HG12 ' A' ' 3' ' ' VAL . 2.6 m -118.14 119.67 35.43 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -158.43 155.36 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 111.228 -178.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.75 -37.35 82.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.206 0.527 . . . . 0.0 110.981 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 22' ' ' ILE . 88.7 mt -111.89 137.01 50.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.994 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.4 m -71.99 41.65 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 24' ' ' LEU . 36.7 ptt-85 -76.07 162.98 27.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.469 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -69.1 97.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -64.66 -44.14 91.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.644 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -149.23 159.57 44.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.75 -19.42 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.759 -179.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.659 0.266 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 52.17 -164.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.694 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.49 HG21 ' O ' ' B' ' 59' ' ' CYS . 6.5 t -82.36 111.94 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.491 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -134.31 173.5 11.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.759 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.592 ' C ' HG23 ' B' ' 46' ' ' THR . 0.0 OUTLIER -121.31 160.35 24.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.15 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.592 HG23 ' C ' ' B' ' 45' ' ' ARG . 8.4 p 86.14 21.26 0.08 Allowed 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 124.951 1.407 . . . . 0.0 110.363 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.497 HD23 ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -137.42 -109.26 0.19 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.269 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.49 ' H ' HD12 ' B' ' 47' ' ' LEU . 0.0 OUTLIER -120.93 136.73 54.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 7.8 t -117.73 117.39 29.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.314 -177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -132.23 154.95 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.3 m -139.65 160.29 40.22 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.434 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' B' ' 58' ' ' THR . 9.1 ptm180 -151.84 150.22 29.87 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.34 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -63.26 144.99 56.46 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.159 0.505 . . . . 0.0 111.217 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.593 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 10.9 p -176.31 48.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.593 ' SG ' ' O ' ' B' ' 54' ' ' VAL . 0.8 OUTLIER 90.83 -16.04 0.21 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.581 ' HD3' HG22 ' A' ' 14' ' ' VAL . 0.1 OUTLIER 175.66 40.64 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.584 -178.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' B' ' 56' ' ' ARG . 9.2 t-20 59.96 143.27 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.875 0.845 . . . . 0.0 110.792 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.466 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.3 OUTLIER -116.29 160.19 20.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.561 -1.199 . . . . 0.0 108.679 178.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.49 ' O ' HG21 ' B' ' 43' ' ' VAL . 8.2 t -112.08 111.96 23.25 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 124.962 1.414 . . . . 0.0 110.236 -178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 51.0 m -130.81 108.51 9.91 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.757 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 69.9 m -122.18 127.97 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' B' ' 48' ' ' GLN . 1.1 pp -154.58 173.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.529 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -95.22 20.2 9.55 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 94.4 mt 59.25 -161.47 0.26 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 74.33 0.54 3.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.605 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -135.24 156.88 48.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.277 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.2 t -86.3 109.63 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.275 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.515 ' O ' ' N ' ' B' ' 70' ' ' ALA . 0.1 OUTLIER -124.82 99.87 6.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 61.78 -70.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.415 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 68' ' ' THR . . . 60.88 77.26 0.33 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.106 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.546 179.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.77 0.319 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.615 ' CA ' ' HE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -68.51 157.89 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.504 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -57.77 -23.42 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.076 -179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 175.16 -164.36 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 14.0 mmp_? -99.9 -115.23 0.16 Allowed 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.699 HG22 ' O ' ' B' ' 47' ' ' LEU . 40.3 p -101.52 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.981 0.42 . . . . 0.0 111.425 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER 18.99 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.625 178.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.558 ' HA ' HG22 ' B' ' 46' ' ' THR . 3.9 tt0 -136.09 136.26 40.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -120.96 121.02 37.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.872 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.0 m -136.26 146.07 46.29 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.071 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -132.8 160.04 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 29' ' ' TYR . 22.6 ptt180 -148.4 146.07 28.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.512 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -54.61 147.92 13.45 Favored 'General case' 0 CA--C 1.515 -0.371 0 O-C-N 123.45 0.469 . . . . 0.0 110.864 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 14' ' ' VAL . 4.9 p 176.35 59.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.816 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 76.66 -15.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.948 0.404 . . . . 0.0 110.304 -179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 178.68 33.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.972 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 16' ' ' ARG . 20.8 m120 58.62 147.06 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.498 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.521 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -114.16 156.58 23.98 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.583 ' O ' HG21 ' A' ' 3' ' ' VAL . 12.1 t -110.84 112.05 23.63 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.092 1.495 . . . . 0.0 110.809 -177.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.0 m -131.56 107.64 9.0 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.993 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.8 m -119.35 121.61 39.96 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.575 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -152.19 161.97 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.241 -177.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' HD22 ' A' ' 24' ' ' LEU . 15.4 ttt-85 -94.69 1.87 55.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.181 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 22' ' ' ILE . 4.3 mm? -108.05 122.77 47.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.4 m -67.23 -39.15 86.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.284 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -61.67 -40.55 95.34 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.713 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -94.65 120.7 35.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -129.9 -15.1 3.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.628 ' CE1' ' NH2' ' A' ' 12' ' ' ARG . 77.5 t80 -144.25 137.43 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.33 153.36 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.577 ' N ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 5.1 tpp85 77.25 -147.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.506 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 42.3 t -73.82 109.92 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.124 0.488 . . . . 0.0 110.452 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -111.18 -141.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.67 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -92.2 -138.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.881 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 8' ' ' GLN . 75.4 p -73.74 -66.8 0.66 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 123.257 0.623 . . . . 0.0 112.44 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER 18.0 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.185 179.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.475 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 1.6 tm0? -136.64 139.94 42.41 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.468 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 40.5 t -118.27 127.11 53.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.989 -177.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -132.67 146.7 52.08 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.212 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.5 m -141.46 159.05 43.02 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.163 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.438 ' NE ' ' CZ ' ' B' ' 69' ' ' TYR . 16.0 ptt85 -154.52 142.3 20.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.395 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' B' ' 54' ' ' VAL . 56.0 ttp180 -54.25 150.92 7.88 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 123.613 0.57 . . . . 0.0 111.36 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.654 HG11 ' OG1' ' B' ' 58' ' ' THR . 4.7 p 171.47 78.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.817 1.323 . . . . 0.0 110.844 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.1 OUTLIER 64.19 -12.35 0.11 Allowed 'General case' 0 C--N 1.317 -0.829 0 O-C-N 121.484 -0.76 . . . . 0.0 110.705 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.611 ' H ' ' C ' ' B' ' 54' ' ' VAL . 1.7 mtt180 169.86 23.19 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.255 1.026 . . . . 0.0 110.657 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 17' ' ' ASN . 1.3 t30 65.41 150.02 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.474 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.654 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -116.18 161.2 19.3 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.279 178.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 21.6 t -115.36 132.29 56.66 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 124.833 1.333 . . . . 0.0 110.67 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 77.3 p -152.11 113.74 4.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.025 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 74.4 m -117.17 126.08 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.616 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -159.56 153.31 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 O-C-N 123.992 0.808 . . . . 0.0 111.225 -177.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -81.79 -2.19 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.924 0.392 . . . . 0.0 111.068 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.31 -178.68 5.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -89.04 40.98 1.01 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.577 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 67' ' ' SER . 32.9 mtm105 61.99 -146.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 1.9 p 75.62 11.89 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 92.9 m -60.95 -46.42 90.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.438 ' CZ ' ' NE ' ' B' ' 52' ' ' ARG . 12.5 p90 -150.18 -7.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.15 93.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.611 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -120.92 133.84 55.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.207 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.674 HG11 ' H ' ' A' ' 21' ' ' CYS . 23.8 t -129.07 123.16 58.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.057 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -169.7 104.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.083 0.468 . . . . 0.0 110.203 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' CB ' HD21 ' A' ' 7' ' ' LEU . 96.2 mtt180 -152.83 -154.67 0.55 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.922 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -143.67 80.72 1.67 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.954 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -154.49 -91.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.506 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.6 tt0 -122.01 131.77 54.17 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.1 t -119.67 124.66 46.82 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.9 p -148.24 159.29 44.13 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.18 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.648 ' SG ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -119.53 158.46 26.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.427 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' THR . 7.0 ttm180 -136.7 130.71 32.51 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -57.87 140.79 51.12 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.797 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 14' ' ' VAL . 7.7 p 176.69 60.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-N 113.995 -1.457 . . . . 0.0 111.259 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' O ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 86.56 -20.02 0.25 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.929 -0.482 . . . . 0.0 110.273 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HD3' HG22 ' B' ' 54' ' ' VAL . 2.1 mtt180 175.18 39.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.471 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.533 ' O ' ' O ' ' A' ' 16' ' ' ARG . 15.1 m120 56.63 147.89 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.898 0.856 . . . . 0.0 110.708 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.648 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -117.39 163.02 16.99 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.365 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.6 ' O ' HG21 ' A' ' 3' ' ' VAL . 24.7 t -110.16 111.3 22.55 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.701 0.762 . . . . 0.0 111.55 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -133.3 119.59 19.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.674 ' H ' HG11 ' A' ' 3' ' ' VAL . 94.5 m -121.42 127.2 50.9 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.597 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -158.77 152.66 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 121.185 0.516 . . . . 0.0 111.733 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -75.77 -17.0 60.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 22' ' ' ILE . 97.4 mt -129.15 140.13 51.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.947 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -95.65 9.62 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 26' ' ' ARG . 9.8 ptm85 -57.69 -28.38 63.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 p -158.65 90.8 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.154 0.502 . . . . 0.0 110.536 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.9 p -68.4 -38.39 81.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.654 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -159.29 134.75 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.679 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.29 151.65 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 55.24 37.92 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.23 -14.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.398 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -70.97 131.02 43.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -157.53 -178.14 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.403 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.4 p -142.7 74.94 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.457 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.597 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -156.28 -87.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.255 0.55 . . . . 0.0 112.453 -178.532 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.597 ' H ' HD12 ' B' ' 47' ' ' LEU . 7.1 tt0 -117.93 127.95 54.33 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -118.11 125.41 50.22 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.132 0.895 . . . . 0.0 112.787 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.8 m -135.51 152.85 51.73 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.873 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 8.6 m -129.86 149.84 51.42 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.587 ' NH1' ' CG ' ' B' ' 69' ' ' TYR . 10.4 ttt180 -132.91 139.52 47.41 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.25 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 ttt85 -55.02 140.02 39.14 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.67 0.747 . . . . 0.0 111.939 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.81 HG11 HG23 ' B' ' 58' ' ' THR . 14.5 p -179.46 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.492 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 8.0 t 65.42 -11.96 0.16 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.575 0.226 . . . . 0.0 110.559 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.554 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 176.85 36.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.546 0.688 . . . . 0.0 111.988 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.519 ' C ' HG12 ' B' ' 54' ' ' VAL . 0.1 OUTLIER 61.23 148.35 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.27 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.81 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -116.64 167.22 11.27 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.712 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 52.5 m -109.15 115.07 29.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 124.285 0.99 . . . . 0.0 111.771 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -131.06 107.02 8.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.645 ' O ' HG23 ' B' ' 62' ' ' ILE . 66.4 m -122.92 133.41 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.645 HG23 ' O ' ' B' ' 61' ' ' CYS . 1.0 OUTLIER -164.36 149.96 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.872 -177.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -71.6 -40.09 70.07 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.213 0.53 . . . . 0.0 111.269 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.492 ' O ' HD13 ' B' ' 62' ' ' ILE . 90.7 mt -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.769 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.3 p -60.85 -30.64 70.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -74.14 146.89 43.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t 72.33 98.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.864 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.1 p -117.4 -15.96 10.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.587 ' CG ' ' NH1' ' B' ' 52' ' ' ARG . 89.2 t80 -142.93 133.81 25.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.584 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.58 43.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.644 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.696 0.284 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 21' ' ' CYS . 12.4 tpp180 53.02 62.82 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.809 HG22 ' SG ' ' B' ' 51' ' ' CYS . 7.4 p -107.8 51.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.21 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.601 ' NH2' ' NH1' ' A' ' 5' ' ' ARG . 29.0 ttp180 -169.53 -138.62 0.02 OUTLIER 'General case' 0 C--O 1.231 0.086 0 CA-C-O 121.002 0.43 . . . . 0.0 110.368 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' NH1' ' NH2' ' A' ' 4' ' ' ARG . 87.0 mmt-85 63.35 -135.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.502 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.561 HG22 ' HA ' ' B' ' 48' ' ' GLN . 32.8 p -137.55 -71.99 0.43 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.687 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER 12.55 -99.02 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.7 tp60 -126.44 135.07 50.92 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.489 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 12.0 t -118.64 121.86 41.17 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 124.032 0.833 . . . . 0.0 113.186 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -127.08 142.13 51.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.259 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.74 159.0 43.13 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 9.3 ptm85 -147.65 144.08 28.13 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.476 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.99 147.05 20.71 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 123.791 0.682 . . . . 0.0 112.611 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.4 p 175.72 66.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.455 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 73.67 -17.98 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.667 -0.646 . . . . 0.0 110.246 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.0 OUTLIER 179.8 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.594 0.711 . . . . 0.0 110.794 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 10.2 t-20 66.27 151.47 0.06 Allowed 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.849 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.454 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -116.65 159.07 22.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.391 178.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 3' ' ' VAL . 10.2 t -113.61 130.9 56.3 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 124.483 1.114 . . . . 0.0 112.063 -177.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -151.03 111.21 4.13 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.895 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' ARG . 74.7 m -118.34 128.06 54.29 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.668 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -156.47 165.94 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.738 -177.22 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -80.95 -11.04 59.64 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.71 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 22' ' ' ILE . 84.7 mt -121.92 120.45 34.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.17 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.9 m -62.01 -40.14 94.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.953 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -66.31 143.19 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t 57.95 108.49 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.709 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -133.02 -99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.763 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -60.41 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.04 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.84 133.67 52.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.536 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.501 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.769 0.319 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 43' ' ' VAL . 44.8 ttm180 -64.56 135.0 55.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.52 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.448 HG21 ' O ' ' B' ' 59' ' ' CYS . 2.7 t 53.69 106.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.204 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -133.52 168.3 18.89 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.71 ' H ' ' CD ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -114.95 159.01 21.24 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.85 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 11.5 p 84.56 29.0 0.06 Allowed 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 124.944 1.403 . . . . 0.0 110.668 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.451 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -143.18 -97.4 0.12 Allowed 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.297 -179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.561 ' HA ' HG22 ' A' ' 6' ' ' THR . 7.2 tp60 -135.08 138.63 44.02 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 21.1 t -118.75 131.95 56.13 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 123.85 0.719 . . . . 0.0 112.52 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 97.6 p -145.37 153.09 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.713 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.809 ' SG ' HG22 ' A' ' 3' ' ' VAL . 2.8 m -140.93 158.56 43.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.636 ' NH1' ' HB3' ' B' ' 70' ' ' ALA . 20.9 ptp180 -150.19 143.37 24.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.715 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -54.8 146.87 16.16 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.686 ' O ' HG22 ' B' ' 54' ' ' VAL . 3.8 p 175.95 66.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.63 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.07 -15.57 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.627 -0.671 . . . . 0.0 110.29 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.514 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.5 OUTLIER 176.8 27.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 121.598 0.713 . . . . 0.0 110.702 -179.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' B' ' 52' ' ' ARG . 11.6 t-20 65.01 151.49 0.05 OUTLIER 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 119.651 -0.82 . . . . 0.0 111.035 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.534 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -116.16 159.82 21.24 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 114.172 -1.376 . . . . 0.0 108.425 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.448 ' O ' HG21 ' B' ' 43' ' ' VAL . 11.7 t -113.53 115.7 28.38 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 124.558 1.161 . . . . 0.0 110.463 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -130.33 107.77 9.51 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.913 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.419 ' O ' HG23 ' B' ' 62' ' ' ILE . 66.3 m -121.83 124.52 44.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.516 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -156.05 166.16 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.068 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -77.84 -1.17 30.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 110.147 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -95.65 172.45 8.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.062 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.7 p -65.24 -43.83 90.13 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.282 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 173.04 31.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.244 0.34 . . . . 0.0 110.807 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 74.1 m -94.7 90.92 6.28 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.202 0.525 . . . . 0.0 110.787 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.587 HG23 ' O ' ' B' ' 68' ' ' THR . 9.6 t -168.94 115.16 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.559 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' B' ' 68' ' ' THR . 85.4 t80 57.68 151.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.691 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.636 ' HB3' ' NH1' ' B' ' 52' ' ' ARG . . . 57.9 30.38 19.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.548 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -101.58 17.87 21.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.647 HG13 ' H ' ' A' ' 21' ' ' CYS . 63.7 t -115.78 121.27 66.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.963 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -112.21 -163.42 0.85 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.775 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' C ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -143.23 173.12 11.87 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.556 HG23 ' C ' ' A' ' 5' ' ' ARG . 10.0 p 84.08 34.6 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 124.845 1.341 . . . . 0.0 111.323 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -149.93 -103.48 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.281 -179.276 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.556 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.0 tm0? -129.05 140.82 51.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' N ' ' OE1' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -118.71 133.16 56.05 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.5 p -142.69 157.0 45.11 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.821 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -134.76 153.37 52.05 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.936 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' THR . 50.4 ptt85 -146.04 146.75 31.07 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.481 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -54.18 145.06 18.19 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.565 0.698 . . . . 0.0 112.613 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.9 p -177.47 51.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.236 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 77.84 -14.22 0.87 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 121.618 -0.676 . . . . 0.0 109.351 -178.216 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -179.45 38.24 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.405 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.813 HD21 ' H ' ' B' ' 59' ' ' CYS . 0.1 OUTLIER 60.11 143.34 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.119 -179.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -117.05 165.09 13.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.19 179.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 58' ' ' THR . 47.4 t -109.88 127.84 54.97 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.568 1.168 . . . . 0.0 111.305 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.7 p -146.07 110.69 5.14 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.855 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.647 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -118.18 126.72 52.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.98 172.34 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.337 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -96.38 50.51 1.15 Allowed 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 25' ' ' SER . 57.3 mt 67.28 -157.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.43 1.081 . . . . 0.0 110.863 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 79.23 11.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.877 -179.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 37.75 -137.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.5 p 49.03 66.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.859 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -124.85 115.07 20.07 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.145 0.498 . . . . 0.0 109.977 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' CD2' ' CZ ' ' A' ' 12' ' ' ARG . 77.1 t80 37.53 81.47 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.98 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.26 155.03 37.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.763 0.316 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -70.09 144.46 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.858 HG21 ' O ' ' B' ' 59' ' ' CYS . 22.0 t -95.18 54.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.596 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 73.21 160.66 0.24 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.54 ' O ' ' OG1' ' B' ' 46' ' ' THR . 23.4 ptt180 -161.88 164.66 28.51 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.414 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.54 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 15.5 p 84.47 33.35 0.04 OUTLIER 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.827 1.33 . . . . 0.0 111.387 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.516 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -150.15 -98.29 0.07 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.587 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' H ' HD12 ' B' ' 47' ' ' LEU . 2.9 tt0 -127.3 137.64 52.87 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 7.2 t -118.17 125.61 50.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.518 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' B' ' 60' ' ' SER . 94.9 p -133.06 153.82 51.13 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.734 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.461 ' SG ' HG11 ' A' ' 3' ' ' VAL . 4.5 m -129.49 149.36 51.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.611 ' O ' ' N ' ' B' ' 58' ' ' THR . 15.4 ttt180 -136.48 150.05 48.5 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.816 0.341 . . . . 0.0 110.544 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' B' ' 54' ' ' VAL . 5.0 tpt180 -74.97 146.25 41.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.52 0.676 . . . . 0.0 111.68 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.612 ' O ' HG22 ' B' ' 54' ' ' VAL . 3.8 p -177.7 67.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 80.84 -5.41 1.71 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -178.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.546 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER 179.15 -57.91 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.906 0.86 . . . . 0.0 110.789 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' B' ' 56' ' ' ARG . 0.4 OUTLIER 171.83 154.78 0.08 Allowed 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.173 -178.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.611 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -126.34 155.87 41.35 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.858 ' O ' HG21 ' B' ' 43' ' ' VAL . 45.6 t -113.27 122.04 46.24 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 123.943 0.777 . . . . 0.0 111.578 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.556 ' HA ' HG11 ' B' ' 43' ' ' VAL . 78.4 p -142.04 110.51 6.07 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.175 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 68.2 m -118.02 127.75 54.12 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.626 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -156.86 154.08 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.471 -177.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -91.37 4.51 52.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.876 HD13 ' NH2' ' B' ' 66' ' ' ARG . 84.2 mt -111.84 138.34 48.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.275 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 85.9 p -76.69 -10.73 59.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.775 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.876 ' NH2' HD13 ' B' ' 64' ' ' LEU . 96.3 mtm-85 -66.39 158.48 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.105 0.479 . . . . 0.0 110.998 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -48.66 119.73 3.3 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.45 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.587 HG23 ' N ' ' B' ' 69' ' ' TYR . 14.5 t -79.65 -45.87 18.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.942 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.587 ' N ' HG23 ' B' ' 68' ' ' THR . 72.9 t80 -139.07 129.83 26.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.683 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.61 ' HB3' HH12 ' B' ' 52' ' ' ARG . . . 65.54 -170.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.537 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.695 0.283 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -133.74 133.4 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.9 117.46 54.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.187 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 47.8 ttt180 -172.1 -137.34 0.02 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.441 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' H ' ' HG2' ' A' ' 4' ' ' ARG . 93.9 mtt-85 62.74 -136.56 0.43 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.248 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.576 HG22 ' HA ' ' B' ' 48' ' ' GLN . 25.4 p -135.04 -73.09 0.47 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.54 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER 16.73 -98.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 179.593 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.622 ' HA ' HG22 ' B' ' 46' ' ' THR . 3.1 tp60 -125.58 135.82 52.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.76 120.59 32.2 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.416 1.073 . . . . 0.0 112.732 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.559 ' CB ' HH12 ' B' ' 42' ' ' ARG . 64.7 m -130.04 146.95 51.73 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.838 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.05 158.83 41.77 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.607 HH22 ' CB ' ' A' ' 20' ' ' SER . 9.4 ptp85 -149.54 143.09 25.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.478 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -55.64 149.33 14.3 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 111.913 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.9 p 173.28 68.21 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 124.698 1.249 . . . . 0.0 111.509 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.66 -16.0 0.47 Allowed 'General case' 0 C--N 1.316 -0.881 0 O-C-N 121.542 -0.723 . . . . 0.0 110.632 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 177.55 15.83 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.288 -179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 6.9 t-20 76.64 150.23 0.11 Allowed 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.366 -178.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.468 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -116.33 159.86 21.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.687 178.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.2 t -113.89 127.74 56.11 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.577 1.173 . . . . 0.0 111.075 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.607 ' CB ' HH22 ' A' ' 12' ' ' ARG . 40.8 p -142.82 107.92 4.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.146 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' ILE . 73.3 m -119.29 124.39 46.57 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -158.51 169.99 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.483 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' C ' HD22 ' A' ' 24' ' ' LEU . 96.0 mtt180 -91.62 4.98 51.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 110.272 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 22' ' ' ILE . 4.2 mm? -97.88 126.66 43.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.8 p -70.11 -19.56 63.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -71.25 152.74 43.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.087 0.47 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.3 t -87.77 109.44 19.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.311 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.6 m -110.06 104.67 13.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.021 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 30' ' ' ALA . 48.4 t80 -123.18 130.53 52.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . -63.94 144.49 57.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.649 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.745 ' N ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.618 0.247 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.559 HH12 ' CB ' ' A' ' 10' ' ' SER . 95.5 mtt-85 -113.78 130.99 56.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.495 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.55 HG21 ' O ' ' B' ' 59' ' ' CYS . 56.1 t -63.28 -41.22 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.436 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.15 -166.52 2.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -89.05 -109.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 8' ' ' GLN . 15.2 p -115.85 -62.45 1.59 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.768 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 18.16 -99.26 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 179.129 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.576 ' HA ' HG22 ' A' ' 6' ' ' THR . 1.8 tm0? -124.62 144.11 50.35 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.524 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 42.6 t -118.15 125.32 50.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.837 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' B' ' 60' ' ' SER . 46.6 m -135.81 139.04 43.18 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.598 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.549 ' CB ' HD21 ' B' ' 57' ' ' ASN . 2.6 m -134.76 159.73 40.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.577 HH22 ' CB ' ' B' ' 60' ' ' SER . 9.6 ptp85 -151.69 146.56 25.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.878 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 67.8 ttt180 -55.05 151.49 8.94 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.683 0.614 . . . . 0.0 111.808 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.681 ' O ' HG22 ' B' ' 54' ' ' VAL . 3.4 p 171.02 68.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 124.736 1.273 . . . . 0.0 111.568 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 70.45 -23.1 0.17 Allowed 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.779 -0.575 . . . . 0.0 110.48 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.587 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -175.66 31.22 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.523 -179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.549 HD21 ' CB ' ' B' ' 51' ' ' CYS . 19.4 t-20 58.52 149.97 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.077 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.575 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -115.74 160.89 19.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.116 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.55 ' O ' HG21 ' B' ' 43' ' ' VAL . 17.0 t -112.58 115.48 28.68 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.607 1.192 . . . . 0.0 111.486 -177.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.577 ' CB ' HH22 ' B' ' 52' ' ' ARG . 57.3 m -132.0 109.44 10.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.803 178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 80.2 m -117.45 124.35 48.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.6 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -158.34 150.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.158 -177.031 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -79.53 -19.35 49.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.962 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.49 ' O ' HD13 ' B' ' 62' ' ' ILE . 88.1 mt -142.85 -130.14 0.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m 48.63 55.65 8.75 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.071 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -48.45 -19.97 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.454 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -129.22 110.76 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.467 HG23 ' O ' ' B' ' 68' ' ' THR . 2.0 t -147.41 102.74 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' B' ' 70' ' ' ALA . 55.8 t80 -151.03 133.96 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.966 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.42 ' O ' ' CE2' ' B' ' 69' ' ' TYR . . . -63.91 142.0 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.627 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.842 0.353 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 55.42 44.37 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.54 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.562 HG21 ' SG ' ' A' ' 19' ' ' CYS . 7.8 t -67.46 121.84 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.267 0.556 . . . . 0.0 110.487 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 99.5 mtt180 -124.51 -167.11 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.419 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.543 ' O ' HD23 ' A' ' 7' ' ' LEU . 14.0 ptp180 -145.61 159.37 43.23 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.776 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 84.04 24.59 0.11 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.921 179.341 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -139.69 -102.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.454 -179.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.538 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 tt0 -129.07 140.03 51.76 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 40.7 t -116.7 118.3 32.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.157 -177.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' B' ' 59' ' ' CYS . 65.8 m -137.27 149.74 47.32 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.1 m -129.59 155.23 46.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.339 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 18' ' ' THR . 14.0 ttt-85 -131.8 141.69 49.53 Favored 'General case' 0 C--O 1.208 -1.088 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.003 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -56.95 143.59 37.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.182 0.515 . . . . 0.0 111.558 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 14' ' ' VAL . 5.0 p 173.37 65.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 76.27 -14.56 0.79 Allowed 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.603 -0.686 . . . . 0.0 110.357 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 17' ' ' ASN . 7.2 mtt180 168.69 57.17 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.545 ' O ' ' O ' ' A' ' 16' ' ' ARG . 9.2 m-20 53.15 162.7 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.393 -0.923 . . . . 0.0 110.337 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.643 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.6 m -119.84 165.16 14.95 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.688 ' HA ' ' SG ' ' B' ' 59' ' ' CYS . 17.1 t -106.06 108.56 20.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.869 1.355 . . . . 0.0 110.501 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' SER . 54.7 m -143.65 109.23 5.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.004 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' SG ' HG13 ' A' ' 3' ' ' VAL . 18.0 m -118.02 123.43 45.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -155.48 149.86 11.51 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.784 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.572 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -76.52 -18.38 58.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.028 0.442 . . . . 0.0 110.913 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' 22' ' ' ILE . 76.5 mt -107.03 123.17 47.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.185 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -64.46 -39.87 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.925 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.7 mtm105 -63.72 143.3 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.48 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.1 t 57.14 99.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -110.28 -25.51 10.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -160.44 -81.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.764 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 143.73 54.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.589 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' B' ' 44' ' ' ARG . 61.2 ttp180 -133.35 117.95 17.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.211 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' B' ' 61' ' ' CYS . 0.4 OUTLIER -87.79 -24.08 6.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.071 0.462 . . . . 0.0 110.614 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.473 ' CZ ' ' O ' ' B' ' 61' ' ' CYS . 5.3 tpp85 -164.76 -157.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.89 -116.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.066 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.461 ' O ' ' C ' ' B' ' 47' ' ' LEU . 7.0 p -123.68 -62.95 1.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.535 -178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.516 ' CG ' ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 18.46 -95.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.004 0.815 . . . . 0.0 113.014 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' H ' ' CG ' ' B' ' 47' ' ' LEU . 61.0 tt0 -141.74 144.26 33.92 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 4.7 t -118.21 136.92 53.36 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.599 0.562 . . . . 0.0 110.633 -178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.488 ' N ' ' O ' ' B' ' 60' ' ' SER . 70.1 m -127.23 156.38 41.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.756 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.417 ' SG ' ' OD1' ' B' ' 57' ' ' ASN . 2.0 t -120.03 155.1 33.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.83 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.458 ' O ' ' OD1' ' B' ' 57' ' ' ASN . 46.8 ptt85 -159.08 136.61 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.332 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 53' ' ' ARG . 0.2 OUTLIER -61.86 145.36 52.96 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.299 0.571 . . . . 0.0 111.363 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 1.024 HG11 HG23 ' B' ' 58' ' ' THR . 10.1 p -174.54 63.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.044 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 64.86 -4.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 111.029 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.614 ' HG2' HG21 ' A' ' 14' ' ' VAL . 2.4 tpt85 -178.06 0.61 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 121.607 0.718 . . . . 0.0 111.671 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' B' ' 52' ' ' ARG . 8.8 t-20 74.45 135.39 0.05 Allowed 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.125 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 1.024 HG23 HG11 ' B' ' 54' ' ' VAL . 3.0 p -121.79 164.43 17.46 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.317 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -114.28 129.12 56.63 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.65 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 50' ' ' SER . 55.6 m -118.65 126.43 51.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' B' ' 43' ' ' VAL . 0.0 OUTLIER -117.02 129.19 55.85 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.754 -179.221 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.496 ' H ' HD12 ' B' ' 62' ' ' ILE . 0.8 OUTLIER -156.27 156.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.628 -179.056 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -79.52 5.17 13.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.733 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.407 ' O ' HD13 ' B' ' 62' ' ' ILE . 85.9 mt -102.48 160.58 14.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.071 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.8 p -61.37 -37.73 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.344 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' B' ' 67' ' ' SER . 17.5 ptm180 -164.66 148.08 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.502 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 0.4 OUTLIER 160.96 103.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.712 HG23 ' H ' ' B' ' 69' ' ' TYR . 0.0 OUTLIER -165.28 -92.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.759 179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.712 ' H ' HG23 ' B' ' 68' ' ' THR . 63.2 t80 -59.62 -49.0 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.01 93.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.617 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.741 0.305 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 3' ' ' VAL . 72.3 mtp85 55.64 40.33 30.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.608 HG11 ' SG ' ' B' ' 51' ' ' CYS . 40.0 t 40.31 94.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.583 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 24.8 mmm180 -82.64 -163.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' C ' HG23 ' A' ' 6' ' ' THR . 23.8 ptt180 -158.88 167.34 29.68 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.228 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.566 HG23 ' C ' ' A' ' 5' ' ' ARG . 8.0 p 82.2 44.88 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 O-C-N 124.716 1.26 . . . . 0.0 110.396 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -161.8 -100.28 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.159 -178.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.643 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 tt0 -126.62 139.19 53.37 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.9 t -118.06 126.36 52.13 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 123.958 0.786 . . . . 0.0 112.281 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.2 p -131.74 148.6 52.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.218 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -139.01 159.96 40.9 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.113 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 8.7 ptm85 -149.98 143.09 24.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.755 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -51.61 149.39 4.53 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.597 0.56 . . . . 0.0 111.92 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 14' ' ' VAL . 4.0 p 172.21 63.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 124.763 1.289 . . . . 0.0 111.267 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.57 -17.61 0.43 Allowed 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.54 -0.725 . . . . 0.0 110.34 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.525 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.4 OUTLIER 178.08 35.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.664 0.745 . . . . 0.0 111.133 -179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' ARG . 3.7 t-20 59.65 151.67 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.484 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.512 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -115.94 159.43 21.6 Favored 'General case' 0 CA--C 1.503 -0.862 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -113.31 124.86 53.46 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.787 1.305 . . . . 0.0 111.626 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -146.93 117.05 7.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.005 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -118.28 123.96 46.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -154.26 159.22 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.798 -177.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtp180 -78.73 -4.44 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 110.399 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.05 145.64 31.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.008 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.8 m -100.77 7.71 43.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.77 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -147.98 159.54 43.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.941 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.2 p 54.76 77.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.19 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -71.65 -41.39 68.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.194 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -158.71 134.12 8.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.685 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.2 152.56 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 55.12 47.03 22.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.525 HG21 ' O ' ' B' ' 59' ' ' CYS . 12.1 t -112.29 121.47 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.505 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -132.15 -172.79 2.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.56 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.535 ' O ' HD23 ' B' ' 47' ' ' LEU . 28.5 ptt180 -137.24 160.25 39.57 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER 85.13 22.34 0.09 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.498 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.535 HD23 ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -138.07 -106.94 0.18 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.001 -178.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' H ' HD12 ' B' ' 47' ' ' LEU . 7.5 tp60 -124.07 137.19 54.61 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 9.7 t -118.52 128.5 54.64 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 90.5 p -140.22 156.79 46.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.775 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.608 ' SG ' HG11 ' A' ' 3' ' ' VAL . 2.3 m -138.97 159.81 41.25 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.362 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 49.4 ptt85 -147.43 139.12 24.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.399 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -50.19 150.0 2.64 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.523 0.514 . . . . 0.0 111.936 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.713 ' O ' HG22 ' B' ' 54' ' ' VAL . 4.2 p 170.93 64.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 124.742 1.276 . . . . 0.0 111.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -15.98 0.44 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.583 -0.698 . . . . 0.0 110.576 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.514 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 176.37 35.23 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.847 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' B' ' 56' ' ' ARG . 74.1 m-20 57.37 150.9 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.726 0.775 . . . . 0.0 110.747 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.536 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -115.32 161.76 18.05 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.525 ' O ' HG21 ' B' ' 43' ' ' VAL . 5.9 t -110.74 115.35 29.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 124.909 1.381 . . . . 0.0 110.83 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p -131.61 108.51 9.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.353 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 62.6 m -123.35 126.37 46.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.438 ' C ' HD12 ' B' ' 47' ' ' LEU . 1.1 pp -153.33 172.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.523 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -89.85 1.41 56.21 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.272 0.558 . . . . 0.0 109.598 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 64' ' ' LEU . 10.0 mp -92.89 170.07 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.785 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -60.89 -43.41 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 179.91 51.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 39.4 t -104.05 121.49 43.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' H ' ' B' ' 69' ' ' TYR . 0.0 OUTLIER -156.54 -97.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.578 ' H ' HG23 ' B' ' 68' ' ' THR . 79.9 t80 -131.7 128.55 39.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.45 153.35 38.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.697 0.284 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 24.17 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 p -62.99 -10.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 31.4 ptt-85 -128.42 116.42 19.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.762 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' H ' ' HB3' ' B' ' 49' ' ' CYS . 76.5 mtp180 -157.76 -134.15 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 48' ' ' GLN . 9.1 p -133.09 -75.17 0.49 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.628 0.251 . . . . 0.0 110.6 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 8.36 -90.64 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 178.566 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' HG22 ' B' ' 46' ' ' THR . 0.0 OUTLIER -131.29 137.53 48.86 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.72 120.2 37.25 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.162 0.914 . . . . 0.0 112.434 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -130.61 146.7 52.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.016 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -127.36 157.25 40.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' THR . 52.0 ptt85 -152.37 160.6 43.28 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 14' ' ' VAL . 73.1 ttt180 -85.67 159.09 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.207 0.527 . . . . 0.0 111.198 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 7.2 p -172.42 -21.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.678 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 166.96 -15.93 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.366 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -179.41 31.7 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.13 -177.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 9.3 t-20 76.83 131.46 0.05 Allowed 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.737 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -117.41 158.67 24.06 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.498 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' B' ' 58' ' ' THR . 18.8 t -115.94 133.16 56.32 Favored 'General case' 0 CA--C 1.515 -0.401 0 O-C-N 123.985 0.803 . . . . 0.0 111.796 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -146.81 115.37 6.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.143 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.2 m -117.82 120.17 37.1 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -156.05 151.56 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -178.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 HH12 ' CD1' ' A' ' 24' ' ' LEU . 30.8 ptt85 -87.14 -4.41 59.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.195 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' HH12 ' A' ' 23' ' ' ARG . 92.1 mt -129.48 141.57 50.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.013 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.4 p -66.05 -22.04 66.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.45 144.64 54.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.516 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m 53.07 63.4 2.25 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.166 0.507 . . . . 0.0 111.016 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.7 p -65.15 -26.02 68.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.61 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 13.8 p90 -148.02 160.77 42.5 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.314 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' TYR . . . -63.8 143.77 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.463 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.62 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.59 HD23 ' N ' ' B' ' 41' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.536 0.208 . . . . 0.0 110.661 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -126.3 135.98 52.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.84 -40.97 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -146.51 -154.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.836 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -102.06 -96.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.451 0.643 . . . . 0.0 112.733 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.634 HG22 ' HA ' ' A' ' 8' ' ' GLN . 15.4 p -125.85 -68.2 0.84 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.818 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.561 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 19.25 -106.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.253 -0.885 . . . . 0.0 113.249 179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.561 ' H ' HD12 ' B' ' 47' ' ' LEU . 3.8 tt0 -117.71 137.81 52.43 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 5.4 t -117.93 117.38 29.11 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.884 0.74 . . . . 0.0 111.586 -177.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -128.63 150.22 50.32 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.061 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -134.19 156.67 47.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.314 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' B' ' 58' ' ' THR . 1.8 ttt85 -141.79 141.23 33.17 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 120.639 0.257 . . . . 0.0 110.965 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -52.54 141.16 20.98 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.634 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.735 ' O ' HG13 ' B' ' 54' ' ' VAL . 10.9 p -178.34 62.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.198 -1.365 . . . . 0.0 111.233 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.4 -14.56 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.138 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 177.71 35.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.745 0.783 . . . . 0.0 110.889 -179.273 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.594 ' C ' HG12 ' B' ' 54' ' ' VAL . 0.1 OUTLIER 61.51 148.37 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.609 -0.836 . . . . 0.0 110.207 -178.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.686 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -114.65 162.38 16.86 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 28.6 t -110.98 112.59 24.53 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 124.448 1.093 . . . . 0.0 110.92 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -131.48 108.67 9.75 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.912 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.5 ' O ' HG23 ' B' ' 62' ' ' ILE . 77.7 m -119.67 130.51 55.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.515 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -160.06 169.8 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.533 -177.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.04 3.89 53.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.489 ' O ' HD13 ' B' ' 62' ' ' ILE . 83.6 mt -96.38 146.27 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.147 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -61.51 -40.23 93.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.876 0.37 . . . . 0.0 110.437 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.84 150.15 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -60.87 -43.38 98.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m 63.92 58.34 1.23 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.44 133.45 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' B' ' 71' ' ' SER . . . 63.88 43.06 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.581 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 70' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.818 0.342 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -70.11 142.74 52.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 4.8 p -85.84 16.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.654 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -126.95 -130.52 0.23 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.122 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HB2' HD21 ' A' ' 7' ' ' LEU . 75.4 mtp85 64.0 -137.72 0.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.229 0.956 . . . . 0.0 111.189 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.641 HG22 ' HA ' ' B' ' 48' ' ' GLN . 24.5 p -133.09 -74.54 0.49 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.504 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 19.64 -100.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.864 0.728 . . . . 0.0 112.007 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' B' ' 46' ' ' THR . 5.2 tt0 -124.44 136.49 54.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -123.53 125.42 44.85 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.316 1.01 . . . . 0.0 112.815 -178.445 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.1 p -140.08 150.07 43.87 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.697 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' H ' ' HD3' ' B' ' 42' ' ' ARG . 2.2 m -134.75 157.73 45.97 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.472 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 9.2 ptm85 -146.54 151.39 37.26 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.609 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -52.94 149.09 6.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 14' ' ' VAL . 8.4 p 178.94 47.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.032 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 82.06 -13.46 0.86 Allowed 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.941 -0.474 . . . . 0.0 109.842 -179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.503 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -177.77 18.21 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.873 -179.384 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' C ' HG12 ' A' ' 14' ' ' VAL . 8.3 t-20 79.54 145.59 0.09 Allowed 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.707 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -114.77 155.64 26.34 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 14.8 t -110.26 124.23 51.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 124.866 1.354 . . . . 0.0 111.177 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.481 ' HA ' HG23 ' A' ' 3' ' ' VAL . 25.3 m -145.68 107.79 4.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.867 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 22' ' ' ILE . 78.1 m -120.26 124.83 46.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -158.08 157.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 123.614 0.571 . . . . 0.0 111.773 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' HD2' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -89.12 -21.2 23.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.392 0.615 . . . . 0.0 111.048 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB3' ' H ' ' A' ' 25' ' ' SER . 84.6 mt -145.59 -153.43 0.48 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.371 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 24' ' ' LEU . 49.4 m 57.79 39.31 27.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.985 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -40.9 149.46 0.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.508 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.8 m 55.3 40.3 31.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.5 m -56.09 -39.05 71.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.624 ' CE2' ' NH2' ' A' ' 12' ' ' ARG . 57.6 t80 -56.17 -46.95 79.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.35 143.7 56.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.828 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.545 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.779 0.323 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HD3' ' H ' ' A' ' 11' ' ' CYS . 49.6 mmt-85 46.71 93.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.413 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.25 -40.16 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.219 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -149.46 -155.13 0.6 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -96.75 -104.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.799 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 8' ' ' GLN . 22.8 p -119.79 -64.8 1.22 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.285 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.548 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 19.16 -109.27 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 O-C-N 123.894 0.746 . . . . 0.0 112.165 179.266 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HA ' HG22 ' A' ' 6' ' ' THR . 2.5 tt0 -116.58 145.24 43.51 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.3 t -117.99 126.77 52.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.724 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 60' ' ' SER . 49.3 m -139.46 141.32 37.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.177 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 2.4 m -128.22 157.66 40.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.935 0.398 . . . . 0.0 110.486 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' B' ' 58' ' ' THR . 51.9 ptt85 -148.93 160.23 43.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.154 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 50.9 ttp180 -83.31 164.0 20.32 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.759 0.314 . . . . 0.0 111.063 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 16' ' ' ARG . 5.7 p -178.14 -29.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.91 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.518 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 175.9 -12.98 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.896 -179.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.0 OUTLIER 179.08 27.93 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.441 -178.498 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 19.2 t30 79.46 130.5 0.05 Allowed 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.645 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.467 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.39 159.44 21.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.821 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 35.4 t -112.57 133.56 54.56 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 124.195 0.934 . . . . 0.0 111.971 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.413 ' O ' ' O ' ' B' ' 50' ' ' SER . 62.5 m -149.52 108.26 3.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.193 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.407 ' O ' HG23 ' B' ' 62' ' ' ILE . 92.2 m -118.52 126.12 51.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.634 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -157.08 154.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.82 -177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -100.38 8.08 43.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 87.5 mt -101.07 142.2 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.3 p -74.76 -9.45 58.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' B' ' 67' ' ' SER . 38.7 ptt180 -137.74 166.16 24.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.534 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 1.8 p 80.01 106.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.468 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.427 HG23 ' O ' ' B' ' 68' ' ' THR . 1.5 t -160.64 103.96 1.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.706 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' B' ' 69' ' ' TYR . 67.4 t80 41.16 85.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.427 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.604 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.68 152.63 42.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.343 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.761 HG21 ' O ' ' A' ' 19' ' ' CYS . 64.2 t -107.19 118.68 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.103 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.693 ' NH1' HH22 ' A' ' 23' ' ' ARG . 83.7 mtp180 -84.25 -167.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' C ' HG23 ' A' ' 6' ' ' THR . 25.2 ptt180 -156.95 170.72 21.87 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.575 HG23 ' C ' ' A' ' 5' ' ' ARG . 10.8 p 84.54 39.24 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 124.688 1.242 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.569 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -157.18 -102.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.673 -178.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.569 ' H ' HD12 ' A' ' 7' ' ' LEU . 4.7 tt0 -118.81 135.38 54.56 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 6.3 t -118.66 115.18 23.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.599 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.7 p -120.97 153.48 37.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.541 ' SG ' HG12 ' B' ' 43' ' ' VAL . 14.1 m -133.94 150.48 51.31 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.14 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.726 ' O ' ' N ' ' A' ' 18' ' ' THR . 17.5 ttm180 -138.88 153.91 48.33 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.679 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.5 ttt-85 -68.96 143.89 54.29 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.331 0.586 . . . . 0.0 112.002 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 14' ' ' VAL . 12.5 p -178.59 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER 91.23 -10.63 0.26 Allowed 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 176.76 -42.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.295 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.603 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 167.18 156.2 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.99 -178.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.726 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -119.34 154.24 33.87 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.428 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.761 ' O ' HG21 ' A' ' 3' ' ' VAL . 22.9 t -109.74 112.29 24.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.269 0.981 . . . . 0.0 110.375 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -137.64 109.1 6.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.017 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.756 ' H ' HG13 ' A' ' 3' ' ' VAL . 67.9 m -121.55 128.0 51.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -158.27 166.82 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.609 -177.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.693 HH22 ' NH1' ' A' ' 4' ' ' ARG . 10.0 ptp85 -93.61 9.5 36.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.933 0.397 . . . . 0.0 110.533 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 27' ' ' SER . 97.6 mt -70.48 159.87 33.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -59.84 -44.02 94.31 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -175.38 22.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.706 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.432 ' HB3' HD13 ' A' ' 24' ' ' LEU . 29.4 t -89.35 115.06 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.511 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' TYR . 5.7 p -145.27 102.1 3.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.563 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' THR . 3.1 m-30 58.27 121.12 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 121.427 0.632 . . . . 0.0 110.041 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.12 139.79 58.02 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.653 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.562 -179.766 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.4 mtm-85 -131.35 143.3 50.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.541 HG12 ' SG ' ' A' ' 11' ' ' CYS . 4.1 p -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.044 0.45 . . . . 0.0 110.254 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.19 -165.5 0.1 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.838 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.577 HH21 HH22 ' B' ' 63' ' ' ARG . 91.2 mtm180 -87.87 -115.8 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 8' ' ' GLN . 11.0 p -111.15 -60.76 1.79 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.951 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.474 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 17.6 -95.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' H ' HD12 ' B' ' 47' ' ' LEU . 2.1 tt0 -134.13 141.26 47.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -115.6 138.13 51.38 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.575 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 92.6 p -149.21 159.84 43.9 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.219 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.24 151.62 47.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.137 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' B' ' 58' ' ' THR . 3.7 ptt180 -141.63 164.45 30.19 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.52 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' B' ' 54' ' ' VAL . 8.2 tmm_? -100.19 159.09 15.38 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.216 0.531 . . . . 0.0 111.687 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.711 HG11 HG23 ' B' ' 58' ' ' THR . 7.2 p -171.04 -31.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.67 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.533 ' SG ' HG13 ' B' ' 54' ' ' VAL . 1.6 p 178.17 -9.77 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.831 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.438 ' H ' ' H ' ' B' ' 55' ' ' CYS . 1.2 tpt180 178.64 37.31 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.603 ' O ' ' O ' ' A' ' 17' ' ' ASN . 45.5 t30 69.8 133.48 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.711 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -119.9 165.9 14.02 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.805 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 18' ' ' THR . 7.1 t -111.09 132.81 53.95 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.477 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 54.0 m -150.77 113.21 4.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.447 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' B' ' 43' ' ' VAL . 1.8 m -118.23 124.6 48.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.621 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -154.1 152.63 9.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.1 -177.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.577 HH22 HH21 ' B' ' 45' ' ' ARG . 15.7 ptp180 -97.52 1.97 49.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.973 0.416 . . . . 0.0 110.631 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' B' ' 66' ' ' ARG . 76.6 mt -126.8 156.28 41.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.199 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 t -67.11 9.46 0.21 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' B' ' 68' ' ' THR . 8.4 ptp180 -60.15 -27.41 67.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.535 ' O ' ' N ' ' B' ' 69' ' ' TYR . 48.9 m 54.16 15.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.888 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.504 ' H ' ' HG3' ' B' ' 66' ' ' ARG . 9.5 m 58.87 -75.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' B' ' 67' ' ' SER . 83.3 t80 -113.36 126.96 55.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.28 154.51 36.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.614 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.739 0.304 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.03 154.19 51.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.527 ' O ' ' SG ' ' B' ' 51' ' ' CYS . 1.8 m -97.22 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 13.0 ttt85 175.67 138.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.336 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 157.99 -133.31 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.003 0.814 . . . . 0.0 109.932 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 47' ' ' LEU . 33.7 p -132.26 -62.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.199 -0.313 . . . . 0.0 111.317 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER 0.66 -95.03 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.568 1.168 . . . . 0.0 113.348 -179.313 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.6 tp60 -133.28 135.69 45.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.87 126.88 53.22 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.019 0.824 . . . . 0.0 113.072 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -138.86 151.29 46.86 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.053 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' B' ' 43' ' ' VAL . 2.5 m -136.69 159.13 42.74 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.659 ' N ' HD21 ' A' ' 17' ' ' ASN . 50.2 ptt85 -146.79 146.38 30.24 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -59.19 147.55 34.94 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.804 0.69 . . . . 0.0 112.112 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.1 p 174.07 70.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.328 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 70.64 -13.15 0.49 Allowed 'General case' 0 C--N 1.317 -0.821 0 O-C-N 121.854 -0.529 . . . . 0.0 110.632 -179.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' HD3' HG22 ' B' ' 54' ' ' VAL . 0.1 OUTLIER 170.85 22.62 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.709 0 CA-C-O 122.179 0.99 . . . . 0.0 110.914 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.659 HD21 ' N ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 71.35 150.59 0.1 Allowed 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.783 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -117.43 162.32 18.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.032 178.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 58' ' ' THR . 13.4 t -113.39 126.63 55.57 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 124.275 0.984 . . . . 0.0 111.216 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -144.48 109.43 5.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.933 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 77.6 m -117.98 123.54 46.0 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -155.59 155.14 5.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.992 -177.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -72.5 -5.09 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.49 166.76 13.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.9 t -152.39 65.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.277 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -143.42 50.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.288 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 47.21 91.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.573 . . . . 0.0 110.258 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -60.67 -31.4 70.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 1.1 t80 -135.87 -130.46 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.963 0.411 . . . . 0.0 110.126 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.612 ' N ' ' CG ' ' A' ' 29' ' ' TYR . . . 179.72 162.05 0.92 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.388 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' CYS . 21.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -156.24 149.86 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.01 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.808 HG21 ' O ' ' B' ' 59' ' ' CYS . 68.4 t -65.19 -42.29 93.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.065 0.459 . . . . 0.0 109.954 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -152.52 -157.38 0.79 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -95.16 -91.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.456 ' CG2' ' NE2' ' A' ' 8' ' ' GLN . 42.1 p -122.87 -64.4 1.18 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.554 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.535 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER 15.63 -103.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.875 -1.057 . . . . 0.0 113.632 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.535 ' H ' HD12 ' B' ' 47' ' ' LEU . 1.3 tp-100 -126.48 139.95 52.84 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' ARG . 29.5 t -118.83 126.04 50.93 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.237 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 53.2 m -136.3 145.68 45.78 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.78 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' A' ' 3' ' ' VAL . 3.3 m -136.3 156.4 48.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.144 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.627 ' NH1' ' CD1' ' B' ' 69' ' ' TYR . 10.8 ptm180 -148.12 152.7 37.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.079 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -56.81 145.3 29.89 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.293 0.568 . . . . 0.0 112.249 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.83 ' O ' HG13 ' B' ' 54' ' ' VAL . 4.8 p -176.86 51.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.705 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.467 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 80.36 -11.58 1.13 Allowed 'General case' 0 C--N 1.315 -0.915 0 O-C-N 121.192 -0.943 . . . . 0.0 109.118 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.4 OUTLIER 177.92 21.21 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.874 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.625 ' C ' HG12 ' B' ' 54' ' ' VAL . 8.3 t-20 76.87 146.61 0.09 Allowed 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.055 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.551 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -116.24 159.42 21.86 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.808 ' O ' HG21 ' B' ' 43' ' ' VAL . 20.1 t -111.89 122.36 47.57 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.618 1.199 . . . . 0.0 111.213 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 46.9 m -142.47 108.9 5.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.102 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.435 ' O ' HG23 ' B' ' 62' ' ' ILE . 76.5 m -119.07 126.52 51.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.52 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -158.15 168.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.482 -177.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -84.87 -0.53 54.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.078 0.466 . . . . 0.0 110.146 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 87.5 mt -87.28 151.6 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.294 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.7 m -112.89 48.22 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.671 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -151.03 169.27 22.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 96.5 p -42.9 117.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.249 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -83.65 -13.94 53.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.543 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.627 ' CD1' ' NH1' ' B' ' 52' ' ' ARG . 55.9 t80 -59.95 -48.83 80.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.61 136.72 42.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.734 0.302 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 3' ' ' VAL . 19.7 ptp180 -62.99 155.75 26.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.416 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.617 HG11 ' SG ' ' B' ' 51' ' ' CYS . 57.4 t 39.53 92.78 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.339 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 20.5 ttt180 -75.21 -165.28 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.271 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.516 ' O ' HD23 ' A' ' 7' ' ' LEU . 37.3 ptt85 -158.11 167.38 30.02 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.204 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 85.39 25.82 0.07 Allowed 'General case' 0 CA--C 1.512 -0.515 0 O-C-N 123.521 0.513 . . . . 0.0 109.751 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -139.97 -106.73 0.16 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.68 -178.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.563 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.4 tm0? -114.95 138.23 51.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 8.7 t -118.66 126.85 52.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.287 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.4 p -145.69 161.01 40.86 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.741 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' SG ' HG21 ' B' ' 43' ' ' VAL . 73.7 m -123.65 158.55 31.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 18' ' ' THR . 39.7 ptt180 -143.94 152.48 41.15 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.516 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -78.16 153.51 32.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.694 0.759 . . . . 0.0 111.852 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' H ' ' H ' ' A' ' 15' ' ' CYS . 14.8 p -171.8 -18.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.556 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 162.84 -22.34 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.823 -178.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.87 38.33 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.73 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' B' ' 57' ' ' ASN . 24.3 t30 67.62 134.86 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -118.74 168.7 10.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.874 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' O ' HG21 ' A' ' 3' ' ' VAL . 9.6 t -106.06 121.52 44.3 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.776 0.673 . . . . 0.0 112.13 -176.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -139.6 109.04 6.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.79 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.57 ' H ' HG13 ' A' ' 3' ' ' VAL . 85.8 m -119.39 127.32 53.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -158.73 163.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.996 -177.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -84.25 -0.81 53.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.11 0.481 . . . . 0.0 110.054 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.23 165.35 20.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.651 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.9 m -77.84 49.26 0.76 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.992 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 60.84 30.32 19.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.791 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -109.18 95.62 5.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.381 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.32 -60.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.485 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -59.41 -49.37 78.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.668 0.27 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -106.91 118.25 36.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.524 HG21 ' SG ' ' A' ' 11' ' ' CYS . 47.0 t -124.75 103.68 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.975 0.417 . . . . 0.0 111.497 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.515 ' H ' ' HB2' ' B' ' 61' ' ' CYS . 0.0 OUTLIER -86.89 -147.99 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.027 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -103.34 -74.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.509 HG22 ' HA ' ' A' ' 8' ' ' GLN . 12.5 p -120.52 -76.29 0.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.538 HD23 ' N ' ' B' ' 47' ' ' LEU . 0.2 OUTLIER 17.36 -87.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.535 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.619 ' NE2' HH21 ' B' ' 66' ' ' ARG . 4.1 tm0? -136.74 138.36 40.88 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.444 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 5.0 t -122.17 133.58 54.73 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.976 0.797 . . . . 0.0 112.473 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.459 ' OG ' ' NE ' ' B' ' 66' ' ' ARG . 54.7 m -138.4 153.36 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.456 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.617 ' SG ' HG11 ' A' ' 3' ' ' VAL . 43.7 m -125.37 156.12 39.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.667 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -149.94 156.71 42.22 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.46 HH12 ' HA ' ' B' ' 56' ' ' ARG . 1.3 ttt85 -73.66 147.2 43.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.846 0.831 . . . . 0.0 112.74 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.794 ' O ' HG13 ' B' ' 54' ' ' VAL . 11.0 p -174.97 65.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 113.827 -1.533 . . . . 0.0 110.167 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 0.2 OUTLIER 77.88 -3.31 2.39 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -178.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.46 ' HA ' HH12 ' B' ' 53' ' ' ARG . 1.1 tpt85 179.73 -56.25 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.118 0.961 . . . . 0.0 110.535 -178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.534 ' C ' HG12 ' B' ' 54' ' ' VAL . 6.0 m-20 167.06 166.29 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.49 -178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.632 HG23 HG11 ' B' ' 54' ' ' VAL . 0.0 OUTLIER -149.54 158.91 44.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.282 178.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -117.13 128.13 54.83 Favored 'General case' 0 N--CA 1.427 -1.577 0 O-C-N 124.762 1.289 . . . . 0.0 112.044 -178.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 67.4 m -124.97 113.56 17.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.139 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.641 ' O ' HG23 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -117.64 122.2 42.95 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.641 HG23 ' O ' ' B' ' 61' ' ' CYS . 1.0 OUTLIER -165.49 152.02 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.691 0.758 . . . . 0.0 112.032 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -81.85 8.8 9.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.478 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.9 mt -88.53 -172.25 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 85.8 p -91.61 30.13 1.39 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.263 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.619 HH21 ' NE2' ' B' ' 48' ' ' GLN . 98.8 mtt180 62.44 -160.7 0.3 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 53.2 m 56.05 29.51 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.417 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 98.9 m -62.83 -46.5 87.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.817 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -105.79 -46.98 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.784 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.28 148.45 34.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.452 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.232 0.15 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -128.29 146.16 50.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.697 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 3.4 p -69.88 -15.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.673 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -115.13 109.92 18.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -153.79 -153.91 0.49 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.056 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 p -143.65 80.27 1.66 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 110.378 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.618 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -156.07 -99.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.246 -178.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.2 tt0 -110.25 128.18 55.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.3 t -117.57 122.09 42.72 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 124.158 0.911 . . . . 0.0 113.084 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.8 m -133.26 142.43 48.51 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.077 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 m -131.52 158.86 39.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.318 0.58 . . . . 0.0 110.856 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 17.5 ptm180 -148.79 145.39 27.54 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.066 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 65.3 ttt180 -53.05 157.24 1.83 Allowed 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 123.847 0.717 . . . . 0.0 110.738 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 14' ' ' VAL . 4.6 p 163.86 66.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 124.333 1.021 . . . . 0.0 110.89 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.29 -19.79 0.24 Allowed 'General case' 0 C--N 1.311 -1.104 0 O-C-N 121.924 -0.485 . . . . 0.0 110.639 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 179.85 34.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.138 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER 59.21 148.09 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.611 -179.327 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.595 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -113.66 157.11 22.58 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 15.4 t -113.22 122.6 47.97 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 124.672 1.232 . . . . 0.0 111.417 -177.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -142.71 108.3 5.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.533 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' O ' HG23 ' A' ' 22' ' ' ILE . 80.6 m -118.53 126.92 53.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -156.46 165.73 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.755 -177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -97.78 8.47 44.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 22' ' ' ILE . 85.0 mt -105.34 154.19 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -39.92 91.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.53 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -65.39 141.93 58.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.9 p -62.95 -34.71 78.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m 66.71 46.74 1.68 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -60.15 -49.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.03 142.84 54.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.704 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.727 0.298 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -103.11 19.61 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 3.0 p -65.7 -4.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.653 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 45' ' ' ARG . 36.2 ptt-85 -145.52 152.25 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.518 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.485 ' HB3' ' H ' ' B' ' 46' ' ' THR . 12.5 mtt85 163.93 -140.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.656 0.598 . . . . 0.0 110.556 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.485 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 2.6 p -142.13 79.19 1.66 Allowed 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.641 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -153.72 -100.99 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.005 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' H ' HD12 ' B' ' 47' ' ' LEU . 5.2 tt0 -111.99 130.89 55.71 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 36.6 t -116.4 123.82 48.5 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.968 0.792 . . . . 0.0 113.03 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 62.0 m -136.42 143.25 43.83 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.203 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 m -138.44 160.46 39.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.223 0.535 . . . . 0.0 110.757 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.544 HH12 ' HB3' ' B' ' 70' ' ' ALA . 17.4 ptm180 -146.81 147.34 30.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.291 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' B' ' 54' ' ' VAL . 7.8 tmm_? -57.25 151.07 16.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 O-C-N 123.662 0.601 . . . . 0.0 110.343 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.675 ' O ' HG22 ' B' ' 54' ' ' VAL . 4.0 p 172.65 66.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.031 0.832 . . . . 0.0 110.913 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.54 -18.85 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.739 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.534 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -177.07 12.97 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.999 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 8.2 t-20 80.88 148.24 0.09 Allowed 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.739 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.552 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -113.37 155.51 25.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.531 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 18.9 t -111.19 122.36 47.66 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.313 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 58.7 m -142.07 107.22 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.135 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.522 ' O ' HG23 ' B' ' 62' ' ' ILE . 80.2 m -121.91 128.54 51.68 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.558 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.1 pp -159.07 169.03 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.744 -178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -105.63 8.54 33.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.834 0.349 . . . . 0.0 110.71 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 62' ' ' ILE . 90.2 mt -119.45 153.48 35.2 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -87.07 10.24 17.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.407 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -57.83 151.12 18.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 98.1 p -56.69 121.05 8.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.437 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.5 p -92.61 88.86 6.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.617 ' O ' ' HB3' ' B' ' 70' ' ' ALA . 61.9 t80 55.57 94.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 69' ' ' TYR . . . 76.22 -155.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.527 HD23 ' H1 ' ' A' ' 1' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 0.0 110.531 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -104.65 17.02 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.852 HG21 ' O ' ' A' ' 19' ' ' CYS . 65.0 t -111.13 113.15 43.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -174.75 71.91 0.03 OUTLIER 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.83 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.2 mpt_? -136.09 -141.24 0.17 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.164 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.501 ' O ' ' C ' ' A' ' 7' ' ' LEU . 68.9 p -140.46 -82.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.528 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 16.72 -90.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 124.102 0.876 . . . . 0.0 112.015 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.622 ' HA ' HG22 ' B' ' 46' ' ' THR . 2.3 tp60 -131.74 136.55 47.68 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 1.6 t -119.33 119.91 35.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.955 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.2 m -134.72 146.06 49.08 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.445 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 m -130.62 157.23 43.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -136.25 138.03 41.39 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.715 179.118 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -51.46 143.94 11.06 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 123.653 0.596 . . . . 0.0 110.824 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.737 HG11 HG23 ' A' ' 18' ' ' THR . 14.4 p 177.13 64.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 124.877 1.361 . . . . 0.0 111.637 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER 70.51 -14.77 0.4 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.837 0.351 . . . . 0.0 110.22 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER 178.25 34.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.807 0.813 . . . . 0.0 111.223 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.553 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER 60.79 151.4 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.456 0.646 . . . . 0.0 110.395 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.737 HG23 HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -114.52 160.42 19.26 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.692 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.852 ' O ' HG21 ' A' ' 3' ' ' VAL . 61.5 m -108.88 120.47 42.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 124.734 1.271 . . . . 0.0 111.662 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -145.48 105.38 4.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.233 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' ILE . 76.5 m -119.69 121.4 39.15 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -157.39 156.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.997 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.41 -3.76 22.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.062 0.458 . . . . 0.0 111.198 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.4 mt -83.56 135.4 34.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.8 m -65.95 -40.22 91.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -71.42 147.21 48.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.3 m -74.5 120.4 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.393 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.8 m -93.63 97.42 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.192 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -114.07 130.16 56.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.977 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.96 151.7 37.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.639 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.599 ' N ' ' NH2' ' B' ' 45' ' ' ARG . 2.0 mp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.93 0.395 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.485 ' NH1' ' OG1' ' B' ' 68' ' ' THR . 17.2 ptp180 -67.54 173.74 3.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.485 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.824 HG13 ' O ' ' B' ' 59' ' ' CYS . 55.5 t 59.92 32.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -174.09 -152.83 0.05 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.599 ' NH2' ' N ' ' B' ' 41' ' ' LEU . 99.5 mtt180 60.0 -133.98 0.81 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.813 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 8' ' ' GLN . 60.7 p -135.89 -75.82 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' B' ' 46' ' ' THR . 0.1 OUTLIER 19.97 -104.81 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.721 0.638 . . . . 0.0 112.285 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' H ' HD12 ' B' ' 47' ' ' LEU . 1.6 tp60 -116.82 139.72 50.27 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 3' ' ' VAL . 39.3 t -118.42 130.06 55.76 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.523 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 51.3 m -144.17 158.84 43.49 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.851 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 58' ' ' THR . 5.8 t -139.06 160.26 40.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.034 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 46.6 ptt85 -152.64 139.24 18.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' B' ' 54' ' ' VAL . 62.1 ttt180 -53.53 154.25 3.7 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 123.939 0.775 . . . . 0.0 110.859 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.638 HG11 ' OG1' ' B' ' 58' ' ' THR . 4.5 p 165.99 73.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 125.117 1.51 . . . . 0.0 111.488 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 64.23 -13.28 0.1 Allowed 'General case' 0 C--N 1.311 -1.068 0 O-C-N 121.461 -0.774 . . . . 0.0 110.646 -179.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.618 ' H ' ' C ' ' B' ' 54' ' ' VAL . 1.8 mtt180 172.38 30.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.347 1.07 . . . . 0.0 110.831 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.517 ' HA ' ' O ' ' B' ' 52' ' ' ARG . 0.7 OUTLIER 59.45 148.96 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.838 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.638 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -116.26 154.97 29.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.207 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.824 ' O ' HG13 ' B' ' 43' ' ' VAL . 34.1 t -110.45 114.49 27.95 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 124.812 1.32 . . . . 0.0 110.93 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -131.33 114.48 15.05 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.443 ' O ' HG23 ' B' ' 62' ' ' ILE . 94.3 m -118.36 123.88 46.37 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.584 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -159.24 152.25 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 123.867 0.73 . . . . 0.0 111.675 -177.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -73.74 -16.15 61.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.186 0.517 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -73.06 149.82 42.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.004 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.1 p -88.75 -12.21 42.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -93.98 150.66 20.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 66.9 m -74.91 112.51 11.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.467 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.485 ' OG1' ' NH1' ' B' ' 42' ' ' ARG . 13.5 t -55.22 -17.85 5.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.53 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' B' ' 52' ' ' ARG . 88.7 t80 -60.25 129.66 42.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.531 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.97 154.88 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.635 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.899 0.381 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -94.31 123.29 37.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 19' ' ' CYS . 40.3 t -128.82 132.49 67.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' HB3' HD11 ' A' ' 7' ' ' LEU . 7.1 tpt180 -116.29 -142.26 0.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.027 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' H ' HD21 ' A' ' 7' ' ' LEU . 89.1 mtm180 -94.89 -103.08 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.201 -178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.501 HG22 ' HA ' ' B' ' 48' ' ' GLN . 16.1 p -101.64 -70.64 0.74 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.553 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD12 ' C ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER 22.63 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.036 0.835 . . . . 0.0 112.374 179.134 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.519 HE21 ' NH2' ' B' ' 45' ' ' ARG . 2.8 tt0 -129.77 139.94 51.17 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.88 124.45 47.15 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.874 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.6 m -129.43 154.28 47.11 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.406 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' SG ' HG11 ' B' ' 43' ' ' VAL . 23.5 m -128.21 147.68 50.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.758 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.677 ' O ' ' N ' ' A' ' 18' ' ' THR . 21.0 ttt-85 -134.93 147.24 49.74 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.897 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -62.14 141.69 58.02 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.353 0.597 . . . . 0.0 111.402 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 14' ' ' VAL . 10.0 p -175.44 60.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.833 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 69.22 -12.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.909 -0.495 . . . . 0.0 110.021 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG2' HG21 ' B' ' 54' ' ' VAL . 0.8 OUTLIER 176.91 49.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.04 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.626 ' C ' HG12 ' A' ' 14' ' ' VAL . 82.8 m-20 55.48 151.92 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.721 0.772 . . . . 0.0 110.409 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.677 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -119.17 161.23 20.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.155 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 34.9 t -108.93 117.25 33.72 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 124.235 0.959 . . . . 0.0 110.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.0 m -139.01 110.44 6.99 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.388 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' H ' ' HA ' ' A' ' 3' ' ' VAL . 1.6 m -117.72 122.29 43.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.8 ' C ' HD12 ' A' ' 7' ' ' LEU . 1.1 pp -147.91 169.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.472 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -103.23 5.32 37.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.15 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.3 149.14 22.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.757 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -82.99 -6.27 59.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -139.79 158.89 43.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.53 98.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.059 0.457 . . . . 0.0 110.877 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.2 p -110.87 -21.71 11.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.688 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CD1' ' CD ' ' A' ' 12' ' ' ARG . 1.2 p90 -149.32 157.88 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.176 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.44 -5.45 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.642 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.28 154.36 39.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.476 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.55 HG11 ' SG ' ' A' ' 11' ' ' CYS . 68.8 t -126.44 121.86 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.247 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.42 ' HG3' ' H ' ' B' ' 45' ' ' ARG . 11.3 tpp180 -113.41 -157.51 0.62 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.3 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.519 ' NH2' HE21 ' A' ' 8' ' ' GLN . 13.2 ptm180 -165.16 162.99 20.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER 83.84 27.92 0.09 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.123 0.487 . . . . 0.0 109.967 179.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.564 HD12 ' H ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -147.48 -101.38 0.09 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.914 -179.534 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.564 ' H ' HD12 ' B' ' 47' ' ' LEU . 1.1 tm0? -117.06 135.79 53.45 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' B' ' 61' ' ' CYS . 5.1 t -117.55 121.14 40.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.582 -177.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -129.7 154.81 46.79 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.202 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.4 m -129.19 148.49 51.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.89 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.596 ' O ' ' N ' ' B' ' 58' ' ' THR . 22.6 ttt-85 -135.99 148.33 48.4 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.001 0.429 . . . . 0.0 110.626 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' B' ' 54' ' ' VAL . 0.7 OUTLIER -72.87 148.82 44.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.966 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.619 ' O ' HG22 ' B' ' 54' ' ' VAL . 7.7 p 179.28 64.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.244 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.5 OUTLIER 83.74 -5.12 1.15 Allowed 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 175.98 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 17' ' ' ASN . 5.6 m-20 166.47 149.92 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.027 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.596 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -121.59 158.84 27.69 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.709 179.197 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.53 115.95 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.88 0.738 . . . . 0.0 110.914 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -135.72 108.19 7.38 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.024 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' B' ' 49' ' ' CYS . 72.9 m -121.45 126.05 48.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.641 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -159.27 152.47 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.491 -177.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -66.92 -39.39 87.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.297 0.57 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 65' ' ' SER . 99.5 mt -142.56 -159.89 1.03 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.416 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.8 OUTLIER 81.03 40.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.982 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -42.55 139.51 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.625 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.4 m 53.85 50.34 17.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.408 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -60.74 -45.12 95.5 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.106 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.538 ' CE1' ' CZ ' ' B' ' 52' ' ' ARG . 0.6 OUTLIER -104.43 -135.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.151 0.5 . . . . 0.0 110.393 179.335 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . 62.51 47.88 4.79 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.375 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.63 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.34 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -127.37 144.81 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.1 p -141.03 97.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -175.01 -140.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HB2' HD21 ' A' ' 7' ' ' LEU . 84.5 mtp180 59.72 -135.04 0.8 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.805 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.562 HG22 ' O ' ' B' ' 47' ' ' LEU . 23.2 p -129.38 -71.93 0.61 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 18.09 -102.05 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -179.589 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -128.63 136.86 51.25 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.21 118.92 33.16 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.24 -177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 20' ' ' SER . 58.2 m -127.11 148.19 50.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.93 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 43' ' ' VAL . 25.5 m -133.34 151.55 51.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.128 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 18' ' ' THR . 17.7 ttm180 -132.37 157.23 45.05 Favored 'General case' 0 C--O 1.207 -1.148 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 6.1 tmm_? -71.82 145.86 48.37 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.413 0.625 . . . . 0.0 111.301 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 14' ' ' VAL . 13.2 p -176.08 68.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.369 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' O ' ' NE ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 74.59 -4.55 2.31 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' NE ' ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 179.72 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.491 0.663 . . . . 0.0 111.874 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.644 ' C ' HG12 ' A' ' 14' ' ' VAL . 5.1 m-20 164.59 153.39 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.233 -1.348 . . . . 0.0 111.169 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.691 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -121.59 162.06 21.29 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' B' ' 58' ' ' THR . 33.9 m -108.63 125.68 52.13 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.267 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.48 ' CB ' HG21 ' A' ' 28' ' ' THR . 30.0 p -150.9 107.62 3.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.911 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.67 ' H ' HG23 ' A' ' 3' ' ' VAL . 67.0 m -127.33 125.94 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -158.92 167.63 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.14 -177.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -85.12 -0.62 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.015 0.436 . . . . 0.0 110.546 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' HD13 ' A' ' 22' ' ' ILE . 79.9 mt -92.64 162.98 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.22 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 72.3 m -61.96 -44.42 96.79 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.891 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 27' ' ' SER . 8.4 ptm180 -175.91 -162.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.447 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER 82.53 28.59 0.12 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.48 HG21 ' CB ' ' A' ' 20' ' ' SER . 91.0 m -71.36 -46.56 60.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 111.208 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.61 ' CD2' ' NH1' ' A' ' 12' ' ' ARG . 92.5 t80 -63.86 131.98 49.43 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 45.01 32.39 0.85 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' SER . 33.9 t . . . . . 0 C--N 1.332 -0.18 0 CA-C-O 120.963 0.411 . . . . 0.0 110.517 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.554 ' NH2' ' CZ ' ' B' ' 44' ' ' ARG . 82.2 mtp180 -127.86 142.02 51.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.297 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.65 HG11 ' HA ' ' B' ' 60' ' ' SER . 20.4 t -107.31 43.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.554 ' CZ ' ' NH2' ' B' ' 42' ' ' ARG . 6.3 ptm85 -102.93 117.2 34.07 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.014 0.435 . . . . 0.0 110.283 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -154.02 -133.38 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.818 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.501 ' O ' ' C ' ' B' ' 47' ' ' LEU . 76.0 p -141.96 -78.8 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.073 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.562 ' O ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER 8.1 -101.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.239 0.962 . . . . 0.0 113.212 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.45 ' H ' HD12 ' B' ' 47' ' ' LEU . 0.4 OUTLIER -124.93 143.88 50.64 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 35.9 t -117.04 132.27 56.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.948 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 10.0 t -144.56 162.3 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.693 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.587 ' SG ' ' ND2' ' B' ' 57' ' ' ASN . 1.0 OUTLIER -127.62 161.57 28.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.753 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' B' ' 58' ' ' THR . 6.4 ptm180 -153.73 163.65 39.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.095 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' B' ' 54' ' ' VAL . 75.7 ttt180 -102.58 158.16 16.42 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.744 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.531 HG11 HG23 ' B' ' 58' ' ' THR . 7.3 p -174.94 -19.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 169.04 -17.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.289 -178.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' B' ' 57' ' ' ASN . 0.5 OUTLIER -178.3 43.14 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.523 0.678 . . . . 0.0 110.657 -177.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.595 ' O ' ' O ' ' A' ' 17' ' ' ASN . 42.3 t30 61.87 130.48 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.559 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -118.74 164.4 15.44 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.245 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 3.8 t -111.0 129.54 55.86 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 124.055 0.847 . . . . 0.0 112.329 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.65 ' HA ' HG11 ' B' ' 43' ' ' VAL . 78.3 p -145.21 112.82 6.27 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.462 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.517 ' H ' ' CG1' ' B' ' 43' ' ' VAL . 87.9 m -118.6 129.4 55.3 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.619 ' O ' HD12 ' B' ' 62' ' ' ILE . 1.0 OUTLIER -157.79 150.7 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -178.133 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -89.93 -23.63 21.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.065 0.459 . . . . 0.0 111.09 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 97.1 mt -112.92 148.68 34.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.118 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -80.27 54.34 1.96 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.815 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -65.69 153.51 41.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.447 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t -53.0 115.53 1.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.211 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.33 100.23 7.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.855 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' B' ' 70' ' ' ALA . 28.2 p90 -56.76 -30.12 63.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.527 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' B' ' 69' ' ' TYR . . . 40.08 -122.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.694 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.718 0.294 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.87 137.16 47.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.221 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' CG1' ' H ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -70.9 -19.23 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.143 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 179.22 -163.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.939 179.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' NH2' ' NH2' ' A' ' 23' ' ' ARG . 90.2 mtm180 -96.84 -115.62 0.13 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.229 0.538 . . . . 0.0 112.41 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.765 HG22 ' O ' ' B' ' 47' ' ' LEU . 34.8 p -100.3 -64.13 1.07 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.265 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER 18.16 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 113.28 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.624 ' HA ' HG22 ' B' ' 46' ' ' THR . 4.9 tt0 -140.77 136.59 32.65 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.3 127.62 53.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.654 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.4 p -140.24 152.52 46.01 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.692 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.646 ' SG ' HG13 ' B' ' 43' ' ' VAL . 3.1 m -135.4 158.45 44.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 20.5 ptp180 -146.67 140.4 25.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.322 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttt85 -52.15 151.63 3.71 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.817 0.698 . . . . 0.0 111.704 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 14' ' ' VAL . 3.4 p 170.03 67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 124.686 1.241 . . . . 0.0 111.226 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.1 -16.84 0.39 Allowed 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.684 -0.635 . . . . 0.0 110.608 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' H ' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER 177.36 22.87 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.663 0.744 . . . . 0.0 111.101 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER 68.9 150.89 0.08 Allowed 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.002 -179.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.04 160.52 19.52 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -111.9 116.27 30.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 O-C-N 125.022 1.451 . . . . 0.0 110.491 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m -137.19 109.15 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.03 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 77.4 m -119.14 124.41 46.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -154.08 152.63 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.318 -177.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 19.6 ptp180 -86.57 -26.37 24.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.371 0.605 . . . . 0.0 110.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HB3' ' H ' ' A' ' 25' ' ' SER . 86.2 mt -145.92 -161.47 1.32 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.683 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 24' ' ' LEU . 51.1 m 60.04 20.56 9.7 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.706 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 38.62 -118.4 0.22 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.757 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.4 m -78.3 113.38 16.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -63.86 -44.17 93.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.686 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' O ' ' NH1' ' A' ' 12' ' ' ARG . 76.5 t80 -91.69 129.4 37.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.2 150.16 34.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.655 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.885 0.374 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -72.84 143.42 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.043 0.449 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.646 HG13 ' SG ' ' A' ' 11' ' ' CYS . 70.4 t 56.61 70.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.565 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.468 ' H ' ' HB2' ' B' ' 61' ' ' CYS . 1.2 mmp_? -85.11 -134.57 0.05 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -107.3 -59.31 1.84 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.689 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.624 HG22 ' HA ' ' A' ' 8' ' ' GLN . 72.7 p -135.76 -78.17 0.43 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.487 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.802 HD12 ' C ' ' B' ' 62' ' ' ILE . 0.2 OUTLIER 20.4 -104.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.177 -179.58 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' B' ' 62' ' ' ILE . 10.4 tp60 -116.21 140.17 49.58 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.0 t -118.79 126.73 52.51 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.091 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -133.52 147.37 51.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.146 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -138.22 159.41 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 58' ' ' THR . 36.7 ptt-85 -150.54 141.23 22.67 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.516 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -51.89 151.26 3.62 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.659 0.6 . . . . 0.0 111.774 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.7 ' O ' HG22 ' B' ' 54' ' ' VAL . 4.0 p 170.82 64.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.744 1.277 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.0 -16.48 0.46 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.601 -0.687 . . . . 0.0 110.458 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' B' ' 54' ' ' VAL . 0.7 OUTLIER 177.34 32.46 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.935 -179.429 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 56' ' ' ARG . 5.7 t-20 60.4 149.32 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.751 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.557 ' OG1' HG11 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -115.03 160.73 19.26 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.227 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.485 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 20.9 t -111.98 130.39 55.87 Favored 'General case' 0 CA--C 1.512 -0.488 0 O-C-N 124.734 1.271 . . . . 0.0 110.754 -177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 58.0 p -151.23 110.64 3.97 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.48 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.553 ' H ' ' H ' ' B' ' 43' ' ' VAL . 72.2 m -117.86 129.95 55.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.802 ' C ' HD12 ' B' ' 47' ' ' LEU . 0.7 OUTLIER -145.89 172.61 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.554 -177.141 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.711 ' H ' ' CD ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -90.66 -11.34 40.09 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.901 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.732 ' O ' HD13 ' B' ' 62' ' ' ILE . 93.6 mt -127.49 140.04 52.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 94.6 p -62.11 -26.18 68.15 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.823 0.344 . . . . 0.0 110.663 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' B' ' 67' ' ' SER . 45.0 mtm105 -73.24 153.2 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.64 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' B' ' 66' ' ' ARG . 0.6 OUTLIER 80.28 103.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.553 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.483 ' O ' ' N ' ' B' ' 70' ' ' ALA . 5.0 t -164.52 25.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.988 0.423 . . . . 0.0 110.749 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.41 ' CD2' ' N ' ' B' ' 70' ' ' ALA . 42.6 t80 55.83 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -124.76 139.24 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.461 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -156.77 168.24 28.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.766 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.795 HG21 ' O ' ' A' ' 19' ' ' CYS . 90.2 t -97.36 116.14 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.873 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -71.18 -175.97 1.33 Allowed 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.37 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' O ' HD23 ' A' ' 7' ' ' LEU . 30.1 ptt180 -154.36 172.82 17.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.504 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER 84.26 28.79 0.07 Allowed 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD12 ' H ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -144.74 -101.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.095 -179.063 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.43 138.43 54.59 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.7 t -119.21 128.68 54.44 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.0 p -137.5 142.98 41.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.992 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m -129.94 156.64 44.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 18' ' ' THR . 20.3 ptp180 -146.33 147.13 31.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.593 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -54.96 142.33 30.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.695 0.759 . . . . 0.0 112.16 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.9 p -176.59 56.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 113.756 -1.565 . . . . 0.0 111.336 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.95 -14.77 0.76 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 109.923 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HG2' HG11 ' B' ' 54' ' ' VAL . 0.5 OUTLIER 178.56 39.29 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.241 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.595 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER 59.68 148.22 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.896 -178.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.62 HG23 HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -116.22 160.04 20.98 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.622 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.795 ' O ' HG21 ' A' ' 3' ' ' VAL . 30.0 t -109.91 112.91 25.23 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.873 1.358 . . . . 0.0 111.255 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -133.6 108.37 8.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.081 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.757 ' H ' HG13 ' A' ' 3' ' ' VAL . 81.4 m -120.5 127.63 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.2 pp -156.07 154.19 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.599 -177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -90.5 -3.81 57.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 22' ' ' ILE . 88.3 mt -112.83 129.65 56.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.715 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -63.36 -41.52 98.84 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -73.4 147.35 44.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.448 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t 60.67 98.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.13 0.491 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -106.98 -18.17 13.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.78 -139.28 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.269 0.557 . . . . 0.0 110.408 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.39 41.13 7.87 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.929 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.753 ' N ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -64.25 140.66 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.781 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.419 HG11 ' H ' ' B' ' 61' ' ' CYS . 46.7 t -62.29 -41.27 90.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.718 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.458 ' HD3' ' H ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER -156.32 -163.14 1.39 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.458 ' H ' ' HD3' ' B' ' 44' ' ' ARG . 77.7 mtp85 -89.91 -97.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 8' ' ' GLN . 14.4 p -116.92 -65.15 1.22 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.46 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 62' ' ' ILE . 0.1 OUTLIER 18.8 -99.62 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' HD21 ' B' ' 64' ' ' LEU . 3.9 tt0 -131.68 141.21 49.53 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -118.35 128.9 55.08 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.096 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -138.95 147.67 42.55 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.102 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.3 m -126.51 149.72 49.19 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' B' ' 58' ' ' THR . 7.6 ttt-85 -141.19 154.15 45.69 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 120.752 0.31 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' B' ' 52' ' ' ARG . 77.6 ttt-85 -88.67 156.62 18.91 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.194 0.521 . . . . 0.0 110.998 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.482 HG11 ' HG2' ' A' ' 16' ' ' ARG . 9.3 p -169.51 -19.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.04 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' B' ' 55' ' ' CYS . 0.0 OUTLIER 168.42 -16.19 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.404 -178.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.6 OUTLIER -179.0 32.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.412 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' B' ' 56' ' ' ARG . 28.5 t30 74.3 131.53 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.978 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.515 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.3 OUTLIER -116.22 161.46 18.93 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.545 179.228 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' THR . 5.7 t -112.97 136.88 52.15 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 124.196 0.935 . . . . 0.0 111.033 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' B' ' 70' ' ' ALA . 26.8 m -152.81 107.52 3.18 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.745 178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.419 ' H ' HG11 ' B' ' 43' ' ' VAL . 80.0 m -123.85 126.39 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.504 ' C ' HD12 ' B' ' 47' ' ' LEU . 1.1 pp -155.59 171.23 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.616 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -94.78 19.55 9.93 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' B' ' 48' ' ' GLN . 86.4 mt 62.66 -160.98 0.3 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.863 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t 70.96 9.31 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.671 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.08 170.97 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.037 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.4 ' O ' ' C ' ' B' ' 68' ' ' THR . 74.3 m -60.21 -40.63 90.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.407 HG22 ' HB3' ' B' ' 70' ' ' ALA . 4.2 m 39.32 75.05 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.757 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -49.66 -20.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.488 ' HB2' ' OG ' ' B' ' 60' ' ' SER . . . -61.17 -39.77 91.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.388 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.513 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.694 0.283 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' NH1' ' NH2' ' A' ' 5' ' ' ARG . 25.8 mmt85 -124.06 134.69 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.197 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.767 HG22 ' SG ' ' B' ' 51' ' ' CYS . 12.2 p -174.04 41.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.974 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 17.4 ttm180 -165.05 -144.82 0.08 Allowed 'General case' 0 C--O 1.23 0.064 0 CA-C-O 121.054 0.454 . . . . 0.0 110.213 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' NH2' ' NH1' ' A' ' 2' ' ' ARG . 65.8 mtm180 61.15 -134.85 0.63 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 75.1 p -131.51 -71.46 0.56 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.196 0.522 . . . . 0.0 111.838 -178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 15.37 -96.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' HA ' HG22 ' B' ' 46' ' ' THR . 5.9 tp60 -130.49 133.06 45.97 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.57 127.59 49.65 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 124.306 1.004 . . . . 0.0 112.949 -177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -141.64 153.12 44.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.629 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -137.86 159.88 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 36.2 ptt-85 -147.32 145.17 29.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.503 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -57.31 147.42 25.73 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 14' ' ' VAL . 2.9 p 174.66 70.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.358 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER 70.78 -12.23 0.57 Allowed 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.67 -0.644 . . . . 0.0 110.63 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HD3' HG22 ' B' ' 54' ' ' VAL . 1.3 mtt180 169.8 23.67 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.1 0.952 . . . . 0.0 110.7 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 6.8 t-20 69.59 149.56 0.08 Allowed 'General case' 0 C--N 1.286 -2.186 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.947 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.518 ' OG1' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -117.25 160.56 20.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 113.48 -1.691 . . . . 0.0 108.97 178.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 t -114.17 132.6 56.03 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 111.52 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -149.73 109.39 4.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.162 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.56 123.59 45.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 22' ' ' ILE . 1.1 pp -155.12 165.71 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.141 -177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.05 1.99 33.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.537 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -96.73 162.22 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.328 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.8 m -94.24 -3.36 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -70.99 149.85 46.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.154 0.502 . . . . 0.0 111.244 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.1 p -67.2 -21.24 65.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.757 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m 59.83 54.28 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.774 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' CE2' ' O ' ' A' ' 30' ' ' ALA . 49.3 t80 -107.59 128.0 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . -64.98 141.87 58.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.637 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.637 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 121.062 0.458 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' CYS . 11.6 mpt_? -102.09 23.78 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.352 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' B' ' 59' ' ' CYS . 52.7 t -85.02 105.1 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.663 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -112.68 -142.68 0.38 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.677 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -85.89 -131.28 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 8' ' ' GLN . 46.6 p -82.67 -64.87 1.09 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.688 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.547 HD12 ' C ' ' B' ' 62' ' ' ILE . 0.1 OUTLIER 17.35 -86.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.676 -1.147 . . . . 0.0 113.593 179.132 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.471 ' OE1' ' N ' ' B' ' 49' ' ' CYS . 1.3 tm0? -136.76 139.13 41.63 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . 0.471 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 37.3 t -118.02 126.75 52.9 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.391 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -134.33 143.63 47.81 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.729 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.767 ' SG ' HG22 ' A' ' 3' ' ' VAL . 3.3 m -140.79 157.39 45.47 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' B' ' 69' ' ' TYR . 16.1 ptm180 -152.9 153.48 33.11 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.045 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -55.5 145.44 22.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 112.015 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.871 ' O ' HG13 ' B' ' 54' ' ' VAL . 4.5 p -176.29 57.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.462 -1.245 . . . . 0.0 111.296 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 75.62 -11.47 1.11 Allowed 'General case' 0 C--N 1.312 -1.033 0 O-C-N 120.536 -1.352 . . . . 0.0 109.333 -178.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 57' ' ' ASN . 0.4 OUTLIER 175.95 21.63 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.875 -179.387 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.668 ' C ' HG12 ' B' ' 54' ' ' VAL . 8.6 t-20 76.25 144.22 0.08 Allowed 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.341 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 52' ' ' ARG . 0.2 OUTLIER -115.24 156.72 24.85 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.779 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.46 ' O ' ' CG2' ' B' ' 43' ' ' VAL . 9.7 t -114.07 132.05 56.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.817 1.323 . . . . 0.0 111.419 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 82.3 p -153.99 113.31 3.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.776 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' B' ' 42' ' ' ARG . 73.6 m -117.87 125.75 51.09 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.547 ' C ' HD12 ' B' ' 47' ' ' LEU . 1.0 OUTLIER -154.83 161.81 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.304 -177.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -89.49 33.91 0.82 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' B' ' 65' ' ' SER . 83.9 mt 60.61 -157.65 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.9 OUTLIER 80.25 10.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.884 -179.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -161.13 156.71 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 75.5 m -63.73 -40.16 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.338 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.764 HG22 ' O ' ' B' ' 68' ' ' THR . 89.2 m 57.22 38.89 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.621 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' TYR . . . . . 0.523 ' O ' ' NH1' ' B' ' 52' ' ' ARG . 38.6 p90 34.14 32.34 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.694 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -60.58 -39.77 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.757 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.947 . . . . . . . . 0 0 . 1 stop_ save_