data_1q2k_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 1q2k _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.66 0.266 . . . . 0.46999999999999997 110.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.31 131.22 57.0 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.324 -0.398 . . . . 2.2200000000000002 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -68.05 -27.04 66.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.6100000000000001 110.994 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -73.29 -41.19 63.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.584 -0.28 . . . . 1.3799999999999999 110.337 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -45.63 64.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.174 -0.676 . . . . 1.27 109.174 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.9 t -52.33 -52.02 55.52 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.262 -0.881 . . . . 1.0900000000000001 110.065 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -55.48 -46.18 76.91 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.051 -0.977 . . . . 3.3900000000000001 111.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.33 -40.58 78.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.289 . . . . 1.1200000000000001 110.454 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -67.21 -29.31 68.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.009 -0.541 . . . . 2.98 110.418 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 82.0 m -80.02 -41.27 26.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.159 -0.473 . . . . 0.23000000000000001 110.346 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.72 -36.61 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.808 0.337 . . . . 1.1399999999999999 110.415 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.29 -27.54 42.23 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.922 -0.581 . . . . 1.05 111.545 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.4 mtt -92.95 13.73 19.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.648 -0.251 . . . . 2.4500000000000002 111.444 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 64.78 1.79 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.95 -0.643 . . . . 0.29999999999999999 113.447 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.4 m-85 -145.33 165.55 28.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.534 0.207 . . . . 2.1600000000000001 110.518 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -2.32 56.68 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.765 0.654 . . . . 1.5700000000000001 112.765 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 165.66 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.798 0.333 . . . . 1.04 111.179 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.04 157.46 29.72 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 112.258 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 20.1 pttt -146.17 -173.08 4.08 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.638 0.732 . . . . 3.4100000000000001 111.277 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.32 127.99 30.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.905 -1.043 . . . . 0.57999999999999996 111.047 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.87 -146.24 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.596 -0.729 . . . . 2.27 109.116 179.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.66 -44.82 1.57 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.505 0.593 . . . . 1.3799999999999999 110.903 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.12 35.38 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.315 -0.857 . . . . 1.6399999999999999 110.354 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -141.35 123.2 15.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.261 -0.427 . . . . 3.0600000000000001 111.933 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -71.6 132.82 45.18 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.649 -0.705 . . . . 0.91000000000000003 111.316 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -121.16 147.23 45.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 3.1600000000000001 109.593 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 67.1 m -101.52 148.57 25.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.369 0.604 . . . . 0.48999999999999999 111.661 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.2 m-30 -97.88 64.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.043 -0.981 . . . . 2.6299999999999999 110.361 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 8.7 mtmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.108 -0.948 . . . . 3.8599999999999999 111.572 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.576 0.227 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.55 142.11 39.47 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 72.5 m -75.03 -28.75 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.277 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -73.45 -41.41 63.24 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.93 67.22 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.5 t -51.21 -52.1 47.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -56.12 -46.79 79.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -56.47 -38.47 56.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -68.26 -31.29 70.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 61.5 m -82.29 -38.12 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.398 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.52 -33.72 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.781 0.324 . . . . 0.0 110.527 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.41 -24.03 24.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.881 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 mtp -93.6 14.56 18.56 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.332 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.04 65.39 1.81 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 120.927 -0.654 . . . . 0.0 113.566 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.05 173.01 12.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -102.45 -4.0 26.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.16 174.79 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.946 0.403 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.27 142.99 7.36 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.864 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -150.99 -179.17 7.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 111.43 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.6 m -122.3 129.88 52.6 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.247 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER -94.9 -137.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.59 -49.13 2.16 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.058 0.844 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 36.52 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -142.75 118.99 10.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -71.32 131.79 43.95 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.925 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 151.2 40.18 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.298 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.509 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.5 m -108.45 144.06 36.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.998 0.427 . . . . 0.0 110.783 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -113.27 76.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.484 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 1.4 mtpt . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.852 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.32 144.29 39.27 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.103 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -73.2 -30.42 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.465 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -72.27 -40.47 67.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.523 0.201 . . . . 0.0 110.511 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -47.54 60.59 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 49.4 t -49.68 -52.51 30.54 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.961 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -54.46 -47.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.219 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.04 -43.86 60.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.616 0.246 . . . . 0.0 110.523 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -31.76 72.94 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 75.3 m -77.18 -37.92 52.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.601 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.26 -35.12 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.496 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.77 -22.33 25.99 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.789 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 mmt -93.66 14.45 19.03 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.634 0.254 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 64.63 2.1 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.219 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.08 171.05 15.04 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.619 0.247 . . . . 0.0 110.643 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -96.95 -1.67 45.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.51 -175.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.473 0.309 . . . . 0.0 111.041 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.08 157.34 29.52 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.573 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -148.35 -178.87 6.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.647 0.737 . . . . 0.0 110.987 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 m -130.16 127.3 39.45 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.819 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -97.26 -139.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.614 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.95 -46.26 2.02 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.779 0.718 . . . . 0.0 111.369 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 32.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.356 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -142.34 125.72 16.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.23 0.538 . . . . 0.0 111.723 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -71.91 133.11 45.22 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -121.38 147.63 45.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.562 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 68.3 m -104.22 150.22 24.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.25 0.548 . . . . 0.0 111.607 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.4 m-30 -94.59 60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.136 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.69 138.82 44.39 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -69.23 -30.52 68.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -40.52 66.93 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -46.07 66.05 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.4 t -51.87 -52.21 51.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.972 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -55.15 -48.3 73.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.975 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.5 t -54.04 -43.18 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -66.39 -31.6 72.47 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.591 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.7 m -77.13 -36.87 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.42 -32.11 56.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 110.546 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.92 -27.02 26.87 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.755 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mtp -93.78 14.06 20.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.27 68.67 1.5 Allowed Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.415 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.622 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.7 m-85 -145.08 166.91 24.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.533 0.206 . . . . 0.0 110.46 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -90.13 -2.19 58.05 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 158.59 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.95 0.5 . . . . 0.0 110.641 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.66 158.86 31.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.664 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 50.0 pttt -143.96 178.72 7.66 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.738 0.78 . . . . 0.0 111.071 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 m -130.47 127.46 39.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.198 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.28 -144.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.186 179.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.431 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.89 -46.34 1.99 Allowed 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.494 0.588 . . . . 0.0 111.133 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 35.7 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.511 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.47 116.65 10.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.447 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -70.91 131.28 43.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.464 0.65 . . . . 0.0 110.705 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 153.31 35.83 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.502 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.9 m -107.97 153.11 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.313 0.578 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.9 m-30 -94.7 61.37 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.683 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.256 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.551 0.215 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.24 138.25 46.86 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.835 0.35 . . . . 0.0 111.074 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 83.4 p -72.55 -29.12 63.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.293 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -74.76 -39.79 61.59 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -44.53 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 48.6 t -53.48 -51.6 62.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.974 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 13.0 ttp85 -55.4 -48.21 74.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.166 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.42 -38.87 57.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -68.03 -31.21 70.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.636 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.2 m -82.18 -37.56 25.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.544 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.28 -34.49 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.543 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.23 25.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.842 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmt -93.54 14.16 19.66 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.49 68.08 1.56 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.476 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 95.6 m-85 -145.18 175.38 10.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.626 0.25 . . . . 0.0 110.476 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 -1.43 27.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 174.0 172.63 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 111.249 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -169.26 139.03 5.4 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.361 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HG3' ' HE2' ' A' ' 30' ' ' TYR . 5.0 mttt -153.95 -172.47 4.23 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.395 0.617 . . . . 0.0 110.823 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.08 130.76 51.74 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.307 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -94.66 -136.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.88 -48.56 2.33 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.056 0.844 . . . . 0.0 110.812 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 37.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.376 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -145.06 124.55 13.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.583 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.12 134.24 47.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.753 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 11.0 tttt -126.13 145.75 50.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.322 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.1 m -103.89 143.57 32.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.58 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 64.5 m-85 -116.19 75.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.277 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.456 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.372 0.129 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.94 138.8 42.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.685 0.278 . . . . 0.0 111.458 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 -29.55 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -39.63 60.24 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -45.42 63.96 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.5 t -51.58 -52.68 45.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.927 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -47.64 78.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.67 -39.71 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -65.62 -34.35 78.02 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 63.3 m -78.94 -39.34 34.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.524 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.57 -34.92 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.493 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.86 -23.06 25.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.855 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.2 mtp -93.6 14.46 18.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.33 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.46 65.53 1.84 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.407 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.5 m-85 -145.14 175.7 10.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 -1.22 25.85 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.4 176.0 0.09 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.031 0.443 . . . . 0.0 111.309 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -171.75 141.5 6.4 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.966 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -148.91 179.38 7.9 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.545 0.688 . . . . 0.0 111.275 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 129.63 52.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.95 -138.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.07 -48.12 2.41 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.95 0.795 . . . . 0.0 110.784 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.69 35.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -142.27 119.85 11.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.5 t -72.48 131.14 42.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.488 0.661 . . . . 0.0 110.826 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -119.6 148.62 43.11 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.241 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.527 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 55.3 m -106.98 143.26 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.228 0.537 . . . . 0.0 111.191 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 56.7 m-85 -113.88 75.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.262 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.78 0.324 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -101.62 119.8 39.34 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.834 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -61.87 -24.47 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -76.56 -41.5 46.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -44.74 46.47 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -34.96 79.58 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 3.9 ttt180 -59.14 -44.63 92.07 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.33 -36.67 65.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.711 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -64.73 -33.12 75.22 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.486 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' SG ' ' HA3' ' A' ' 20' ' ' GLY . 97.8 m -75.85 -45.03 37.91 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.13 -35.15 55.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.34 33.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.872 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 mtt -93.75 15.31 16.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.07 54.38 2.61 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.337 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 97.4 m-85 -145.15 174.77 10.78 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.39 -0.03 20.85 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.18 174.45 0.44 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 111.358 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -170.03 142.53 7.28 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.666 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -126.53 -179.22 4.67 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.85 0.834 . . . . 0.0 112.234 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 12.6 m -139.97 130.39 25.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.433 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.84 -149.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -39.56 -47.34 1.9 Allowed 'General case' 0 C--N 1.339 0.134 0 CA-C-O 121.172 0.511 . . . . 0.0 111.545 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -173.63 38.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.753 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -142.09 145.34 34.18 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 7.7 t -110.69 134.44 52.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.531 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -114.91 124.17 51.01 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.508 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 39.9 m -93.76 143.95 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.52 ' HE2' ' CG ' ' A' ' 21' ' ' LYS . 67.8 m-85 -117.24 77.56 1.14 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.363 -1.289 . . . . 0.0 111.604 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -115.52 137.36 52.14 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -30.46 70.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -69.1 -42.22 76.42 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.4 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -46.64 67.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.9 t -52.2 -51.67 56.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.819 178.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -54.43 -48.07 72.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.156 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.74 -41.81 67.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -30.37 70.0 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 71.7 m -79.96 -37.32 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.6 -34.57 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.546 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.39 -23.57 26.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.879 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.4 mmm -93.63 13.94 20.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.564 0.221 . . . . 0.0 111.492 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.42 1.83 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.411 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.623 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.6 m-85 -145.07 169.35 18.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.464 0.173 . . . . 0.0 110.561 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -92.98 -2.4 55.81 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.87 -174.22 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.8 156.74 28.82 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.713 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.0 pttm -145.11 -176.89 5.27 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.567 0.699 . . . . 0.0 111.034 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 m -132.25 128.0 36.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.048 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -101.56 -141.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.729 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -39.94 -46.65 2.08 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.575 0.625 . . . . 0.0 111.582 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.04 32.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.13 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -143.51 124.33 14.24 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 111.716 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -68.98 133.95 48.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.33 142.27 50.67 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.531 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.1 m -99.45 151.74 20.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.269 0.557 . . . . 0.0 111.827 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -95.02 63.35 2.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.182 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.014 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.66 0.267 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.65 119.7 39.02 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.315 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -62.25 -24.71 67.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -80.13 -38.81 30.72 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 -43.24 64.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 29.6 t -51.81 -54.4 29.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.183 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -54.97 -43.85 73.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.63 -37.68 60.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.49 -31.91 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.603 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.4 m -81.07 -38.3 27.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.337 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.82 -33.71 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.42 -22.6 24.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.836 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.7 mtp -93.47 14.36 18.92 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.524 0.202 . . . . 0.0 111.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.74 63.62 2.07 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.913 -0.661 . . . . 0.0 113.199 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -145.12 165.5 28.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -86.92 -4.12 59.15 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.494 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 161.66 -174.0 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.815 0.446 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.93 162.67 34.83 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.516 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 21.9 pttp -150.85 177.02 10.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.024 0.916 . . . . 0.0 111.948 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 m -104.23 126.64 51.5 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.35 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -44.5 1.98 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.069 0.461 . . . . 0.0 110.727 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 35.01 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.291 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 23' ' ' ILE . 45.9 mttm -144.46 166.88 23.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.777 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -93.17 123.87 36.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.713 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 4.8 tptp -106.53 148.95 27.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.9 m -110.06 149.77 29.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.213 0.53 . . . . 0.0 111.812 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.494 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.7 m-30 -94.26 61.28 2.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.511 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.47 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.73 143.07 36.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.14 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.16 -28.4 61.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -73.06 -42.15 63.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.9 0.381 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.59 -45.44 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.182 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 41.4 t -52.41 -51.89 56.69 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.9 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -55.76 -48.3 75.51 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.09 -41.06 67.58 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 CA-C-O 120.686 0.279 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -66.95 -29.9 69.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.495 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 93.7 m -80.52 -41.67 23.81 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.18 -30.79 50.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.913 0.387 . . . . 0.0 110.148 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.75 -29.67 45.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.533 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 10.7 ptp -94.7 1.84 55.53 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.652 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 62.1 0.76 Allowed Glycine 0 C--N 1.339 0.701 0 C-N-CA 120.764 -0.732 . . . . 0.0 114.24 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 80.9 m-85 -145.56 168.11 21.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.845 0.323 . . . . 0.0 110.653 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -91.76 -2.36 56.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 164.52 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.727 0.298 . . . . 0.0 111.178 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 157.91 29.49 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -149.72 179.58 7.9 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.682 0.753 . . . . 0.0 111.11 179.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -127.18 128.16 45.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -95.89 -141.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.05 -46.87 2.21 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.745 0.702 . . . . 0.0 110.973 179.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.53 36.35 0.01 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.386 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -142.0 121.58 13.34 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.515 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.7 t -72.56 132.36 43.69 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.497 0.665 . . . . 0.0 110.931 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -120.64 157.08 30.32 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.753 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.3 m -109.27 149.68 29.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.123 0.487 . . . . 0.0 111.706 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.653 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.0 m-30 -94.54 60.64 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.272 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.523 0.201 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.16 131.55 56.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.265 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -65.91 -29.45 69.88 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -70.82 -42.6 70.04 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -47.71 68.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 51.1 t -50.97 -52.16 45.41 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.961 178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -55.44 -47.55 75.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.038 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.08 -42.46 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -30.56 70.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 74.0 m -79.5 -37.77 35.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.56 -35.62 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.51 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.17 -22.63 26.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.929 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.5 mmt -93.76 14.03 20.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.466 0.174 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.13 65.29 1.97 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.488 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.0 170.02 16.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.592 0.234 . . . . 0.0 110.45 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -93.49 -3.31 53.18 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.504 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 162.29 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.778 0.431 . . . . 0.0 111.036 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.46 156.43 28.15 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.806 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.59 -173.91 4.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.962 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -132.9 128.22 36.08 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -100.67 -141.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.518 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.88 -47.43 2.16 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.523 0.601 . . . . 0.0 111.424 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.17 33.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.235 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 5.3 ptpt -144.63 123.21 12.48 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.128 0.49 . . . . 0.0 111.759 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -66.07 134.01 51.95 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.133 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HD3' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -123.04 138.82 54.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.892 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 72.1 m -96.34 150.7 20.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.384 0.611 . . . . 0.0 111.841 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.504 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.7 m-30 -94.88 63.31 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.659 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.655 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.649 0.262 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.44 128.2 55.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.952 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -65.37 -26.96 68.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.41 -41.09 61.5 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.167 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -46.44 66.52 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 38.7 t -50.4 -53.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.994 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HD2' ' OG ' ' A' ' 19' ' ' SER . 19.7 ttt180 -53.59 -45.78 70.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t -55.01 -43.88 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -32.4 74.1 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.3 m -76.36 -38.47 55.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.07 -34.53 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 120.688 0.28 . . . . 0.0 110.471 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -22.46 25.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.757 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.53 13.8 20.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.639 0.257 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 64.05 2.12 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.154 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.0 m-85 -144.99 169.4 18.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.645 0.259 . . . . 0.0 110.626 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -95.36 -1.4 51.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.629 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.13 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.617 0.246 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.14 159.96 32.5 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 8.2 pttp -146.8 -178.68 6.31 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.789 0.804 . . . . 0.0 111.199 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.3 m -129.22 127.36 41.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.071 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.436 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -100.94 -143.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.563 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.82 -45.79 1.84 Allowed 'General case' 0 C--N 1.342 0.268 0 CA-C-N 118.597 0.635 . . . . 0.0 111.497 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -175.55 28.7 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.732 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -140.55 132.77 28.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.13 0.491 . . . . 0.0 111.7 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -73.83 133.85 43.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -120.45 147.96 44.43 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.298 . . . . 0.0 109.373 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 73.3 m -105.81 150.59 25.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.212 0.53 . . . . 0.0 111.838 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.629 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.38 62.32 2.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.811 0.338 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -121.57 118.98 30.6 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -60.94 -25.94 67.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.265 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -38.7 33.29 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -44.67 62.68 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 42.6 t -50.98 -53.44 33.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.094 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -53.89 -48.3 70.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.801 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.78 -38.13 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -68.34 -31.1 70.27 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.723 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 84.0 m -82.34 -37.45 25.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.49 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.69 -33.99 65.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 120.708 0.289 . . . . 0.0 110.488 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -22.53 25.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.907 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mmm -93.91 14.02 20.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.609 0.242 . . . . 0.0 111.438 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 64.1 2.1 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.47 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -144.49 163.64 33.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' SER . 1.9 m -85.71 -2.24 58.0 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.533 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.64 -175.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.735 0.414 . . . . 0.0 110.804 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.2 160.54 33.53 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.285 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 60.1 pttt -151.65 -177.23 5.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.036 0.922 . . . . 0.0 112.194 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -104.77 126.64 52.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.13 -1.396 . . . . 0.0 110.724 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -149.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.06 -45.18 2.61 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.07 0.462 . . . . 0.0 110.828 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.16 33.38 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.357 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -145.43 160.28 41.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.243 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.7 t -85.71 125.16 32.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.545 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.81 146.33 35.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.652 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 95.3 m -106.76 151.65 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 111.576 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -94.51 61.4 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.608 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.642 0.258 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -110.53 141.86 43.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 13.5 t -75.97 -30.05 58.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.11 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -39.96 61.67 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -45.8 65.96 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 47.1 t -52.48 -51.76 57.77 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.114 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 4.7 ttp85 -55.9 -47.93 76.54 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.138 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.17 -38.02 59.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -68.52 -31.57 70.91 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.67 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.5 m -81.14 -38.76 26.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.44 -33.99 62.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.753 0.311 . . . . 0.0 110.478 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.09 -25.19 27.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.834 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.1 mtt -93.55 14.42 18.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.5 0.191 . . . . 0.0 111.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 67.33 1.65 Allowed Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.368 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.521 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.8 m-85 -145.08 170.88 15.33 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -101.98 -2.44 29.7 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.99 170.42 0.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.46 139.3 5.59 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.581 ' HG3' ' HE2' ' A' ' 30' ' ' TYR . 1.1 mttm -153.0 -174.29 4.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.433 0.635 . . . . 0.0 111.058 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.6 m -126.64 128.99 47.63 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.195 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.51 -134.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.498 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -39.95 -48.87 2.43 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 119.142 0.883 . . . . 0.0 110.992 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 35.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.771 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -144.07 126.96 16.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.515 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -72.32 133.75 45.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 4.0 tptt -124.85 144.53 50.25 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.6 m -103.44 143.6 32.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.709 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.581 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 66.5 m-85 -116.37 79.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.971 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.777 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.659 0.266 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.37 121.65 43.47 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.729 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -61.39 -26.23 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.237 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -74.19 -40.98 62.14 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.159 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -46.69 66.64 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.3 t -51.17 -52.56 42.99 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.129 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -45.69 73.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.63 -38.52 64.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -69.31 -31.13 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.576 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 79.6 m -81.32 -37.01 29.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.378 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.27 -34.34 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.351 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.89 -23.3 25.26 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.71 14.26 19.71 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.577 0.227 . . . . 0.0 111.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.72 1.5 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.29 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 90.3 m-85 -145.15 168.63 19.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.586 0.231 . . . . 0.0 110.517 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -89.63 -2.23 58.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 159.13 -174.46 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.812 0.445 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.05 158.24 30.76 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.27 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -151.99 -167.79 2.88 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.485 0.66 . . . . 0.0 111.357 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.5 m -133.57 128.61 35.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.6 -144.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.97 -45.78 1.95 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.555 0.616 . . . . 0.0 110.939 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 35.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.298 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -144.55 124.91 13.83 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.605 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -64.31 135.57 56.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.153 179.492 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -125.96 147.03 49.62 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.851 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 66.9 m -102.66 150.11 23.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.218 0.532 . . . . 0.0 111.427 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.3 m-30 -94.92 64.48 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.132 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.03 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.456 0.169 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -107.78 142.06 38.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.7 p -74.67 -30.03 61.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.23 -39.75 62.87 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 110.372 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -46.34 63.56 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 53.4 t -50.96 -53.0 36.84 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.042 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -55.71 -48.0 75.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.178 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.44 -38.94 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.436 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.53 -30.48 69.29 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.506 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 70.5 m -81.64 -37.41 27.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.73 -34.83 67.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -22.73 25.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.698 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.5 mmt -93.57 13.86 20.65 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.618 0.247 . . . . 0.0 111.35 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 64.09 1.98 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.434 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.26 171.92 13.88 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.57 -6.92 26.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.64 177.31 0.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 111.553 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.26 142.45 6.86 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.063 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -150.89 -177.29 5.92 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.566 0.698 . . . . 0.0 111.031 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.7 m -123.2 128.91 50.69 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.17 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.98 -135.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.331 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.97 -48.14 2.34 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.011 0.823 . . . . 0.0 111.235 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -176.67 34.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.787 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -145.19 125.55 13.92 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 111.807 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -72.67 132.28 43.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.925 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 145.15 48.52 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.915 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.509 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 57.8 m -102.6 144.31 31.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 54.3 m-85 -114.53 76.38 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.17 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 22.7 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.56 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.579 0.228 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.62 135.86 53.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.03 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -29.58 67.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -73.59 -40.05 64.15 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.409 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.85 -45.07 65.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.4 t -52.07 -52.55 50.43 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.851 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -53.64 -48.11 69.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.049 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.1 -43.32 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.75 -30.55 71.22 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.4 m -78.63 -38.77 38.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.49 -33.4 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.892 0.377 . . . . 0.0 110.382 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.28 27.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.758 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 mtm -93.53 14.5 18.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.634 0.254 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.82 66.4 1.83 Allowed Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.423 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.3 m-85 -145.16 169.78 17.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.713 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -2.85 50.68 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 162.82 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.747 0.419 . . . . 0.0 110.923 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.4 159.87 32.84 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.694 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 26.0 pttt -147.31 -177.54 5.74 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.564 0.697 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 m -130.55 127.79 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.037 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -97.75 -143.89 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.94 -46.22 2.0 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.582 0.628 . . . . 0.0 111.017 179.534 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.61 35.95 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -142.31 120.78 12.44 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.487 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -67.22 132.49 47.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 148.0 44.29 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.579 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 77.3 m -105.71 150.93 25.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 111.713 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.39 61.19 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.433 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.519 0.199 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -96.51 116.37 28.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.447 ' HB3' ' HD2' ' A' ' 21' ' ' LYS . 44.7 m -60.46 -23.83 64.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.525 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -78.54 -41.02 33.31 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.061 0.458 . . . . 0.0 109.808 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -44.48 44.12 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.028 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -34.07 77.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.951 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -59.26 -44.87 92.39 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.69 -34.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -65.34 -33.0 74.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.54 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 98.1 m -76.82 -44.76 31.24 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 80.0 t -59.04 -33.69 50.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.679 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.01 -20.9 28.16 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.737 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmt -93.96 15.76 16.04 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.646 0.26 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 50.12 3.2 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.38 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 97.1 m-85 -144.99 176.54 9.41 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.654 0.227 . . . . 0.0 110.681 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -110.23 1.14 18.46 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.517 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.58 174.59 0.49 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.062 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.71 148.33 12.28 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.724 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HG2' ' HE2' ' A' ' 30' ' ' TYR . 4.5 mmmt -127.93 177.48 6.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.873 0.844 . . . . 0.0 112.443 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 7.8 m -138.23 128.96 26.67 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.346 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -111.91 -152.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.717 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.36 -45.2 1.42 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.008 0.433 . . . . 0.0 111.592 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -173.77 37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.981 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -140.7 149.69 42.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.309 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.1 t -115.68 134.12 55.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.756 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 6.5 tptm -111.19 144.22 40.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.91 178.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 52.7 m -111.07 143.76 41.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.073 0.463 . . . . 0.0 110.263 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.517 ' HB2' ' CB ' ' A' ' 19' ' ' SER . 69.4 m-85 -116.85 78.44 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.891 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.71 134.78 51.59 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -67.62 -29.01 68.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.22 -40.83 64.38 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.15 -45.73 66.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.8 t -51.85 -52.51 48.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.807 178.282 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -54.94 -48.23 73.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.081 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -55.04 -43.4 69.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -65.69 -30.32 70.99 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.593 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 88.2 m -79.58 -39.68 31.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.88 -34.24 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -22.65 25.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.854 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.7 mmt -93.59 13.97 20.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.37 61.93 2.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.18 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.602 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.4 m-85 -145.03 166.85 24.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.763 0.315 . . . . 0.0 110.549 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -92.51 -2.87 55.9 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.646 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.34 -173.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.645 0.378 . . . . 0.0 110.836 179.664 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 159.93 33.26 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.604 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 13.0 pttp -144.18 176.85 9.02 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.833 0.825 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 m -129.09 126.8 40.16 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.491 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -103.66 -142.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.798 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -39.73 -46.67 1.93 Allowed 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.523 0.601 . . . . 0.0 111.656 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 32.69 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.277 179.106 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 1.3 ptmt -142.94 122.46 13.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.257 0.551 . . . . 0.0 111.632 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 t -70.64 131.94 44.68 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -118.08 150.07 39.95 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.603 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 91.1 m -106.69 151.53 24.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.247 0.546 . . . . 0.0 111.764 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.646 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -94.61 60.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.742 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.56 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.727 0.299 . . . . 2.5899999999999999 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.58 121.65 31.98 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 1.3400000000000001 111.07 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 121.06 27.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.169 -0.469 . . . . 0.46999999999999997 110.822 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.31 131.22 57.0 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.324 -0.398 . . . . 2.2200000000000002 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -68.05 -27.04 66.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.6100000000000001 110.994 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -73.29 -41.19 63.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.584 -0.28 . . . . 1.3799999999999999 110.337 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -45.63 64.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.174 -0.676 . . . . 1.27 109.174 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.9 t -52.33 -52.02 55.52 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.262 -0.881 . . . . 1.0900000000000001 110.065 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -55.48 -46.18 76.91 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.051 -0.977 . . . . 3.3900000000000001 111.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.33 -40.58 78.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.289 . . . . 1.1200000000000001 110.454 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -67.21 -29.31 68.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.009 -0.541 . . . . 2.98 110.418 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 82.0 m -80.02 -41.27 26.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.159 -0.473 . . . . 0.23000000000000001 110.346 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.72 -36.61 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.808 0.337 . . . . 1.1399999999999999 110.415 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.29 -27.54 42.23 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.922 -0.581 . . . . 1.05 111.545 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.4 mtt -92.95 13.73 19.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.648 -0.251 . . . . 2.4500000000000002 111.444 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 64.78 1.79 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.95 -0.643 . . . . 0.29999999999999999 113.447 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.4 m-85 -145.33 165.55 28.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.534 0.207 . . . . 2.1600000000000001 110.518 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -2.32 56.68 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.765 0.654 . . . . 1.5700000000000001 112.765 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.557 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 165.66 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.798 0.333 . . . . 1.04 111.179 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.04 157.46 29.72 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 112.258 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 20.1 pttt -146.17 -173.08 4.08 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.638 0.732 . . . . 3.4100000000000001 111.277 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.32 127.99 30.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.905 -1.043 . . . . 0.57999999999999996 111.047 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.87 -146.24 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.596 -0.729 . . . . 2.27 109.116 179.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.66 -44.82 1.57 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.505 0.593 . . . . 1.3799999999999999 110.903 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.12 35.38 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.315 -0.857 . . . . 1.6399999999999999 110.354 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -141.35 123.2 15.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.261 -0.427 . . . . 3.0600000000000001 111.933 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -71.6 132.82 45.18 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.649 -0.705 . . . . 0.91000000000000003 111.316 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -121.16 147.23 45.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 3.1600000000000001 109.593 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 67.1 m -101.52 148.57 25.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.369 0.604 . . . . 0.48999999999999999 111.661 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.2 m-30 -97.88 64.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.043 -0.981 . . . . 2.6299999999999999 110.361 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 8.7 mtmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.108 -0.948 . . . . 3.8599999999999999 111.572 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.89 127.34 35.64 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -122.17 120.5 34.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.55 142.11 39.47 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 72.5 m -75.03 -28.75 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.277 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -73.45 -41.41 63.24 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.93 67.22 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.5 t -51.21 -52.1 47.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -56.12 -46.79 79.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.962 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -56.47 -38.47 56.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -68.26 -31.29 70.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 61.5 m -82.29 -38.12 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.398 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.52 -33.72 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.781 0.324 . . . . 0.0 110.527 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.41 -24.03 24.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.881 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 mtp -93.6 14.56 18.56 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.332 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.04 65.39 1.81 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 120.927 -0.654 . . . . 0.0 113.566 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.05 173.01 12.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -102.45 -4.0 26.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.16 174.79 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.946 0.403 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.27 142.99 7.36 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.864 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -150.99 -179.17 7.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 111.43 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.6 m -122.3 129.88 52.6 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.247 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER -94.9 -137.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.59 -49.13 2.16 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.058 0.844 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 36.52 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -142.75 118.99 10.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -71.32 131.79 43.95 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.925 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 151.2 40.18 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.298 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.509 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.5 m -108.45 144.06 36.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.998 0.427 . . . . 0.0 110.783 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -113.27 76.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.484 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 1.4 mtpt . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.852 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.03 165.99 3.84 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.918 0.39 . . . . 0.0 111.432 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.52 116.01 22.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.32 144.29 39.27 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.103 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -73.2 -30.42 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.465 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -72.27 -40.47 67.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.523 0.201 . . . . 0.0 110.511 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -47.54 60.59 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 49.4 t -49.68 -52.51 30.54 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.961 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -54.46 -47.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.219 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.04 -43.86 60.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.616 0.246 . . . . 0.0 110.523 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -31.76 72.94 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 75.3 m -77.18 -37.92 52.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.601 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.26 -35.12 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.496 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.77 -22.33 25.99 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.789 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 mmt -93.66 14.45 19.03 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.634 0.254 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 64.63 2.1 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.219 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.08 171.05 15.04 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.619 0.247 . . . . 0.0 110.643 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -96.95 -1.67 45.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.594 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.51 -175.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.473 0.309 . . . . 0.0 111.041 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.08 157.34 29.52 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.573 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -148.35 -178.87 6.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.647 0.737 . . . . 0.0 110.987 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 m -130.16 127.3 39.45 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.819 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -97.26 -139.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.614 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.95 -46.26 2.02 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.779 0.718 . . . . 0.0 111.369 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 32.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.356 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -142.34 125.72 16.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.23 0.538 . . . . 0.0 111.723 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -71.91 133.11 45.22 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -121.38 147.63 45.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.562 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 68.3 m -104.22 150.22 24.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.25 0.548 . . . . 0.0 111.607 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.4 m-30 -94.59 60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.136 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.714 0.292 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.52 118.43 12.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.63 118.61 25.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.962 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.69 138.82 44.39 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -69.23 -30.52 68.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 -40.52 66.93 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -46.07 66.05 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.4 t -51.87 -52.21 51.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.972 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -55.15 -48.3 73.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.975 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.5 t -54.04 -43.18 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -66.39 -31.6 72.47 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.591 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.7 m -77.13 -36.87 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.42 -32.11 56.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 110.546 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.92 -27.02 26.87 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.755 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mtp -93.78 14.06 20.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.27 68.67 1.5 Allowed Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.415 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.622 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.7 m-85 -145.08 166.91 24.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.533 0.206 . . . . 0.0 110.46 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -90.13 -2.19 58.05 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 158.59 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.95 0.5 . . . . 0.0 110.641 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.66 158.86 31.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.664 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 50.0 pttt -143.96 178.72 7.66 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.738 0.78 . . . . 0.0 111.071 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 m -130.47 127.46 39.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.198 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.28 -144.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.186 179.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.431 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.89 -46.34 1.99 Allowed 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.494 0.588 . . . . 0.0 111.133 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 35.7 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.511 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.47 116.65 10.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.447 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -70.91 131.28 43.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.464 0.65 . . . . 0.0 110.705 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.73 153.31 35.83 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.502 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.9 m -107.97 153.11 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.313 0.578 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.9 m-30 -94.7 61.37 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.683 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.256 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.478 0.18 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.14 158.95 18.4 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 111.405 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.1 120.59 34.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.24 138.25 46.86 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.835 0.35 . . . . 0.0 111.074 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 83.4 p -72.55 -29.12 63.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.293 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -74.76 -39.79 61.59 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -44.53 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 48.6 t -53.48 -51.6 62.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.974 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 13.0 ttp85 -55.4 -48.21 74.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.166 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.42 -38.87 57.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -68.03 -31.21 70.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.636 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.2 m -82.18 -37.56 25.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.544 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.28 -34.49 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.543 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.23 25.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.842 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmt -93.54 14.16 19.66 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.49 68.08 1.56 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.476 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 95.6 m-85 -145.18 175.38 10.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.626 0.25 . . . . 0.0 110.476 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 -1.43 27.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 174.0 172.63 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 111.249 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -169.26 139.03 5.4 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.361 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HG3' ' HE2' ' A' ' 30' ' ' TYR . 5.0 mttt -153.95 -172.47 4.23 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.395 0.617 . . . . 0.0 110.823 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.08 130.76 51.74 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.307 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -94.66 -136.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.88 -48.56 2.33 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.056 0.844 . . . . 0.0 110.812 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 37.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.376 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -145.06 124.55 13.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.583 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.12 134.24 47.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.753 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 11.0 tttt -126.13 145.75 50.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.322 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.1 m -103.89 143.57 32.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.58 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 64.5 m-85 -116.19 75.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.277 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.456 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.413 0.149 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.2 130.38 40.11 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 111.086 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -123.27 122.65 38.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.94 138.8 42.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.685 0.278 . . . . 0.0 111.458 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 -29.55 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -39.63 60.24 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -45.42 63.96 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.5 t -51.58 -52.68 45.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.927 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -47.64 78.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.67 -39.71 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -65.62 -34.35 78.02 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 63.3 m -78.94 -39.34 34.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.524 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.57 -34.92 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.493 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.86 -23.06 25.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.855 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.2 mtp -93.6 14.46 18.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.33 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.46 65.53 1.84 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.407 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.5 m-85 -145.14 175.7 10.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 -1.22 25.85 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.4 176.0 0.09 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.031 0.443 . . . . 0.0 111.309 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -171.75 141.5 6.4 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.966 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -148.91 179.38 7.9 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.545 0.688 . . . . 0.0 111.275 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 129.63 52.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.95 -138.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.07 -48.12 2.41 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.95 0.795 . . . . 0.0 110.784 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.69 35.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -142.27 119.85 11.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.5 t -72.48 131.14 42.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.488 0.661 . . . . 0.0 110.826 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -119.6 148.62 43.11 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.241 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.527 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 55.3 m -106.98 143.26 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.228 0.537 . . . . 0.0 111.191 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 56.7 m-85 -113.88 75.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.262 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.04 152.87 26.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.557 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t -84.33 111.99 19.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -101.62 119.8 39.34 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.834 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -61.87 -24.47 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -76.56 -41.5 46.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -44.74 46.47 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -34.96 79.58 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 3.9 ttt180 -59.14 -44.63 92.07 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.33 -36.67 65.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.711 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -64.73 -33.12 75.22 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.486 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' SG ' ' HA3' ' A' ' 20' ' ' GLY . 97.8 m -75.85 -45.03 37.91 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.13 -35.15 55.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.34 33.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.872 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 mtt -93.75 15.31 16.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.07 54.38 2.61 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.337 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 97.4 m-85 -145.15 174.77 10.78 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.39 -0.03 20.85 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.466 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.18 174.45 0.44 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 111.358 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -170.03 142.53 7.28 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.666 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -126.53 -179.22 4.67 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.85 0.834 . . . . 0.0 112.234 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 12.6 m -139.97 130.39 25.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.433 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.84 -149.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -39.56 -47.34 1.9 Allowed 'General case' 0 C--N 1.339 0.134 0 CA-C-O 121.172 0.511 . . . . 0.0 111.545 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -173.63 38.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.753 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -142.09 145.34 34.18 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 7.7 t -110.69 134.44 52.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.531 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -114.91 124.17 51.01 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.508 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 39.9 m -93.76 143.95 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.52 ' HE2' ' CG ' ' A' ' 21' ' ' LYS . 67.8 m-85 -117.24 77.56 1.14 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.363 -1.289 . . . . 0.0 111.604 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.684 0.278 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.39 122.36 28.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -104.82 124.3 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -115.52 137.36 52.14 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -30.46 70.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -69.1 -42.22 76.42 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.4 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -46.64 67.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.9 t -52.2 -51.67 56.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.819 178.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -54.43 -48.07 72.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.156 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.74 -41.81 67.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -30.37 70.0 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 71.7 m -79.96 -37.32 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.6 -34.57 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.546 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.39 -23.57 26.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.879 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.4 mmm -93.63 13.94 20.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.564 0.221 . . . . 0.0 111.492 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.42 1.83 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.411 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.623 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.6 m-85 -145.07 169.35 18.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.464 0.173 . . . . 0.0 110.561 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -92.98 -2.4 55.81 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.526 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.87 -174.22 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.8 156.74 28.82 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.713 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.0 pttm -145.11 -176.89 5.27 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.567 0.699 . . . . 0.0 111.034 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 m -132.25 128.0 36.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.048 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -101.56 -141.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.729 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -39.94 -46.65 2.08 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.575 0.625 . . . . 0.0 111.582 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.04 32.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.13 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -143.51 124.33 14.24 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 111.716 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -68.98 133.95 48.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.33 142.27 50.67 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.531 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.1 m -99.45 151.74 20.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.269 0.557 . . . . 0.0 111.827 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -95.02 63.35 2.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.182 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.014 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.692 0.282 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 146.03 51.43 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.23 133.91 34.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.65 119.7 39.02 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.315 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -62.25 -24.71 67.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -80.13 -38.81 30.72 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 -43.24 64.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 29.6 t -51.81 -54.4 29.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.183 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -54.97 -43.85 73.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.63 -37.68 60.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.49 -31.91 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.603 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.4 m -81.07 -38.3 27.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.337 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.82 -33.71 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.42 -22.6 24.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.836 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.7 mtp -93.47 14.36 18.92 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.524 0.202 . . . . 0.0 111.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.74 63.62 2.07 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.913 -0.661 . . . . 0.0 113.199 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -145.12 165.5 28.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -86.92 -4.12 59.15 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.494 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 161.66 -174.0 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.815 0.446 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.93 162.67 34.83 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.516 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 21.9 pttp -150.85 177.02 10.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.024 0.916 . . . . 0.0 111.948 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 m -104.23 126.64 51.5 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.35 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -44.5 1.98 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.069 0.461 . . . . 0.0 110.727 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 35.01 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.291 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 23' ' ' ILE . 45.9 mttm -144.46 166.88 23.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.777 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -93.17 123.87 36.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.713 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 4.8 tptp -106.53 148.95 27.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.9 m -110.06 149.77 29.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.213 0.53 . . . . 0.0 111.812 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.494 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.7 m-30 -94.26 61.28 2.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.511 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.47 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.33 148.95 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.39 108.96 19.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 120.666 0.27 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.84 107.77 19.16 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.933 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -87.53 115.53 25.02 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.996 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.73 143.07 36.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.14 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.16 -28.4 61.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -73.06 -42.15 63.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.9 0.381 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.59 -45.44 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.182 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 41.4 t -52.41 -51.89 56.69 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.9 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -55.76 -48.3 75.51 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.09 -41.06 67.58 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 CA-C-O 120.686 0.279 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -66.95 -29.9 69.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.495 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 93.7 m -80.52 -41.67 23.81 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.18 -30.79 50.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.913 0.387 . . . . 0.0 110.148 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.75 -29.67 45.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.533 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 10.7 ptp -94.7 1.84 55.53 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.652 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 62.1 0.76 Allowed Glycine 0 C--N 1.339 0.701 0 C-N-CA 120.764 -0.732 . . . . 0.0 114.24 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 80.9 m-85 -145.56 168.11 21.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.845 0.323 . . . . 0.0 110.653 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -91.76 -2.36 56.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.653 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 164.52 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.727 0.298 . . . . 0.0 111.178 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 157.91 29.49 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -149.72 179.58 7.9 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.682 0.753 . . . . 0.0 111.11 179.27 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -127.18 128.16 45.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -95.89 -141.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.419 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.05 -46.87 2.21 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.745 0.702 . . . . 0.0 110.973 179.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.53 36.35 0.01 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.386 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -142.0 121.58 13.34 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.515 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.7 t -72.56 132.36 43.69 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.497 0.665 . . . . 0.0 110.931 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -120.64 157.08 30.32 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.753 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.3 m -109.27 149.68 29.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.123 0.487 . . . . 0.0 111.706 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.653 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.0 m-30 -94.54 60.64 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.272 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.779 0.323 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.24 121.09 31.95 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.84 128.76 36.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.16 131.55 56.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.265 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -65.91 -29.45 69.88 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -70.82 -42.6 70.04 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -47.71 68.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 51.1 t -50.97 -52.16 45.41 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.961 178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -55.44 -47.55 75.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.038 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.08 -42.46 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -30.56 70.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 74.0 m -79.5 -37.77 35.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.56 -35.62 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.51 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.17 -22.63 26.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.929 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.5 mmt -93.76 14.03 20.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.466 0.174 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.13 65.29 1.97 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.488 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.0 170.02 16.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.592 0.234 . . . . 0.0 110.45 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -93.49 -3.31 53.18 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.504 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 162.29 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.778 0.431 . . . . 0.0 111.036 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.46 156.43 28.15 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.806 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.59 -173.91 4.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.962 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -132.9 128.22 36.08 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -100.67 -141.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.518 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.88 -47.43 2.16 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.523 0.601 . . . . 0.0 111.424 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.17 33.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.235 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 5.3 ptpt -144.63 123.21 12.48 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.128 0.49 . . . . 0.0 111.759 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -66.07 134.01 51.95 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.133 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HD3' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -123.04 138.82 54.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.892 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 72.1 m -96.34 150.7 20.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.384 0.611 . . . . 0.0 111.841 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.504 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.7 m-30 -94.88 63.31 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.659 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.655 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.0 136.78 32.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -86.08 128.97 34.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.44 128.2 55.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.952 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -65.37 -26.96 68.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.41 -41.09 61.5 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.167 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -46.44 66.52 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 38.7 t -50.4 -53.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.994 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HD2' ' OG ' ' A' ' 19' ' ' SER . 19.7 ttt180 -53.59 -45.78 70.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.9 t -55.01 -43.88 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -32.4 74.1 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.3 m -76.36 -38.47 55.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.07 -34.53 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 120.688 0.28 . . . . 0.0 110.471 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -22.46 25.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.757 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.53 13.8 20.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.639 0.257 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 64.05 2.12 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.154 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.0 m-85 -144.99 169.4 18.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.645 0.259 . . . . 0.0 110.626 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -95.36 -1.4 51.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.629 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.13 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.617 0.246 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.14 159.96 32.5 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 8.2 pttp -146.8 -178.68 6.31 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.789 0.804 . . . . 0.0 111.199 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.3 m -129.22 127.36 41.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.071 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.436 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -100.94 -143.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.563 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.82 -45.79 1.84 Allowed 'General case' 0 C--N 1.342 0.268 0 CA-C-N 118.597 0.635 . . . . 0.0 111.497 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -175.55 28.7 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.732 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -140.55 132.77 28.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.13 0.491 . . . . 0.0 111.7 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -73.83 133.85 43.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -120.45 147.96 44.43 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.298 . . . . 0.0 109.373 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 73.3 m -105.81 150.59 25.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.212 0.53 . . . . 0.0 111.838 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.629 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.38 62.32 2.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.33 148.95 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.39 108.96 19.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.577 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.76 86.22 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -89.87 138.39 31.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.416 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -121.57 118.98 30.6 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -60.94 -25.94 67.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.265 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -38.7 33.29 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -44.67 62.68 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 42.6 t -50.98 -53.44 33.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.094 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -53.89 -48.3 70.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.801 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.78 -38.13 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -68.34 -31.1 70.27 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.723 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 84.0 m -82.34 -37.45 25.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.49 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.69 -33.99 65.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 120.708 0.289 . . . . 0.0 110.488 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -22.53 25.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.907 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mmm -93.91 14.02 20.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.609 0.242 . . . . 0.0 111.438 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 64.1 2.1 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.47 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -144.49 163.64 33.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' SER . 1.9 m -85.71 -2.24 58.0 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.533 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.64 -175.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.735 0.414 . . . . 0.0 110.804 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.2 160.54 33.53 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.285 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 60.1 pttt -151.65 -177.23 5.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.036 0.922 . . . . 0.0 112.194 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -104.77 126.64 52.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.13 -1.396 . . . . 0.0 110.724 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -149.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.06 -45.18 2.61 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.07 0.462 . . . . 0.0 110.828 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.16 33.38 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.357 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -145.43 160.28 41.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.243 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.7 t -85.71 125.16 32.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.545 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.81 146.33 35.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.652 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 95.3 m -106.76 151.65 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 111.576 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -94.51 61.4 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.608 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.792 0.33 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.56 148.81 51.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.38 116.22 24.4 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -110.53 141.86 43.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 13.5 t -75.97 -30.05 58.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.11 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.68 -39.96 61.67 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -45.8 65.96 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 47.1 t -52.48 -51.76 57.77 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.114 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 4.7 ttp85 -55.9 -47.93 76.54 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.138 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.8 t -57.17 -38.02 59.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -68.52 -31.57 70.91 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.67 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.5 m -81.14 -38.76 26.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.44 -33.99 62.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.753 0.311 . . . . 0.0 110.478 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.09 -25.19 27.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.834 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.1 mtt -93.55 14.42 18.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.5 0.191 . . . . 0.0 111.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 67.33 1.65 Allowed Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.368 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.521 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.8 m-85 -145.08 170.88 15.33 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -101.98 -2.44 29.7 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.99 170.42 0.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.46 139.3 5.59 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.581 ' HG3' ' HE2' ' A' ' 30' ' ' TYR . 1.1 mttm -153.0 -174.29 4.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.433 0.635 . . . . 0.0 111.058 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.6 m -126.64 128.99 47.63 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.195 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.51 -134.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.498 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -39.95 -48.87 2.43 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 119.142 0.883 . . . . 0.0 110.992 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 35.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.771 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -144.07 126.96 16.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.515 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -72.32 133.75 45.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 4.0 tptt -124.85 144.53 50.25 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.6 m -103.44 143.6 32.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.709 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.581 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 66.5 m-85 -116.37 79.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.971 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.777 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.51 117.19 5.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.886 0.374 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.05 127.62 45.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.117 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.37 121.65 43.47 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.729 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -61.39 -26.23 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.237 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -74.19 -40.98 62.14 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.159 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -46.69 66.64 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.3 t -51.17 -52.56 42.99 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.129 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -45.69 73.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.63 -38.52 64.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -69.31 -31.13 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.576 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 79.6 m -81.32 -37.01 29.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.378 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.27 -34.34 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.351 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.89 -23.3 25.26 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.71 14.26 19.71 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.577 0.227 . . . . 0.0 111.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.72 1.5 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.29 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 90.3 m-85 -145.15 168.63 19.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.586 0.231 . . . . 0.0 110.517 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -89.63 -2.23 58.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 159.13 -174.46 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.812 0.445 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.05 158.24 30.76 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.27 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -151.99 -167.79 2.88 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.485 0.66 . . . . 0.0 111.357 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.5 m -133.57 128.61 35.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.6 -144.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.97 -45.78 1.95 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.555 0.616 . . . . 0.0 110.939 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 35.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.298 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -144.55 124.91 13.83 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.605 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -64.31 135.57 56.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.153 179.492 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -125.96 147.03 49.62 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.851 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 66.9 m -102.66 150.11 23.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.218 0.532 . . . . 0.0 111.427 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.3 m-30 -94.92 64.48 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.132 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.03 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.29 113.47 24.73 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.81 119.43 32.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -107.78 142.06 38.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.7 p -74.67 -30.03 61.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.23 -39.75 62.87 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 110.372 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -46.34 63.56 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 53.4 t -50.96 -53.0 36.84 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.042 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 ttp85 -55.71 -48.0 75.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.178 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.44 -38.94 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.436 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.53 -30.48 69.29 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.506 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 70.5 m -81.64 -37.41 27.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.73 -34.83 67.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -22.73 25.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.698 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.5 mmt -93.57 13.86 20.65 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.618 0.247 . . . . 0.0 111.35 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 64.09 1.98 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.434 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.26 171.92 13.88 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.57 -6.92 26.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.64 177.31 0.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 111.553 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.26 142.45 6.86 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.063 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -150.89 -177.29 5.92 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.566 0.698 . . . . 0.0 111.031 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.7 m -123.2 128.91 50.69 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.17 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.98 -135.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.331 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.97 -48.14 2.34 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.011 0.823 . . . . 0.0 111.235 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -176.67 34.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.787 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -145.19 125.55 13.92 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 111.807 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -72.67 132.28 43.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.925 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 145.15 48.52 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.915 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.509 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 57.8 m -102.6 144.31 31.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 54.3 m-85 -114.53 76.38 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.17 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 22.7 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.56 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.08 145.09 55.69 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t -104.8 124.12 48.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.251 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.62 135.86 53.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.03 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -29.58 67.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -73.59 -40.05 64.15 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.409 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.85 -45.07 65.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.4 t -52.07 -52.55 50.43 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.851 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -53.64 -48.11 69.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.049 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.1 -43.32 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.75 -30.55 71.22 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.4 m -78.63 -38.77 38.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -62.49 -33.4 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.892 0.377 . . . . 0.0 110.382 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.28 27.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.758 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 mtm -93.53 14.5 18.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.634 0.254 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.82 66.4 1.83 Allowed Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.423 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.3 m-85 -145.16 169.78 17.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.713 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -2.85 50.68 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 162.82 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.747 0.419 . . . . 0.0 110.923 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.4 159.87 32.84 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.694 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 26.0 pttt -147.31 -177.54 5.74 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.564 0.697 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 m -130.55 127.79 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.037 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -97.75 -143.89 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.94 -46.22 2.0 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.582 0.628 . . . . 0.0 111.017 179.534 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.61 35.95 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -142.31 120.78 12.44 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.487 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -67.22 132.49 47.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 148.0 44.29 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.579 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 77.3 m -105.71 150.93 25.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 111.713 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.39 61.19 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.433 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 117.38 13.7 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.319 . . . . 0.0 111.257 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t -85.15 110.51 19.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -96.51 116.37 28.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HB3' ' HD2' ' A' ' 21' ' ' LYS . 44.7 m -60.46 -23.83 64.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.525 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -78.54 -41.02 33.31 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.061 0.458 . . . . 0.0 109.808 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -44.48 44.12 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.028 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -34.07 77.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.951 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -59.26 -44.87 92.39 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.69 -34.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -65.34 -33.0 74.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.54 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 98.1 m -76.82 -44.76 31.24 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 80.0 t -59.04 -33.69 50.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.679 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.01 -20.9 28.16 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.737 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmt -93.96 15.76 16.04 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.646 0.26 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 50.12 3.2 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.38 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 97.1 m-85 -144.99 176.54 9.41 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.654 0.227 . . . . 0.0 110.681 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -110.23 1.14 18.46 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.517 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.58 174.59 0.49 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.062 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.71 148.33 12.28 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.724 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HG2' ' HE2' ' A' ' 30' ' ' TYR . 4.5 mmmt -127.93 177.48 6.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.873 0.844 . . . . 0.0 112.443 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 7.8 m -138.23 128.96 26.67 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.346 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -111.91 -152.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.717 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.36 -45.2 1.42 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.008 0.433 . . . . 0.0 111.592 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -173.77 37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.981 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -140.7 149.69 42.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.309 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.1 t -115.68 134.12 55.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.756 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 6.5 tptm -111.19 144.22 40.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.91 178.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 52.7 m -111.07 143.76 41.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.073 0.463 . . . . 0.0 110.263 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.517 ' HB2' ' CB ' ' A' ' 19' ' ' SER . 69.4 m-85 -116.85 78.44 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.891 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.56 140.28 46.18 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.727 0.299 . . . . 0.0 111.267 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -111.49 123.83 51.03 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.71 134.78 51.59 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -67.62 -29.01 68.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.22 -40.83 64.38 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.15 -45.73 66.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.8 t -51.85 -52.51 48.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.807 178.282 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -54.94 -48.23 73.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.081 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -55.04 -43.4 69.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -65.69 -30.32 70.99 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.593 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 88.2 m -79.58 -39.68 31.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.88 -34.24 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -22.65 25.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.854 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.7 mmt -93.59 13.97 20.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.37 61.93 2.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.18 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.602 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.4 m-85 -145.03 166.85 24.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.763 0.315 . . . . 0.0 110.549 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -92.51 -2.87 55.9 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.646 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.34 -173.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.645 0.378 . . . . 0.0 110.836 179.664 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 159.93 33.26 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.604 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 13.0 pttp -144.18 176.85 9.02 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.833 0.825 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 m -129.09 126.8 40.16 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.491 ' CG2' ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -103.66 -142.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.798 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -39.73 -46.67 1.93 Allowed 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.523 0.601 . . . . 0.0 111.656 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 32.69 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.277 179.106 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 1.3 ptmt -142.94 122.46 13.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.257 0.551 . . . . 0.0 111.632 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 t -70.64 131.94 44.68 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -118.08 150.07 39.95 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.603 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 91.1 m -106.69 151.53 24.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.247 0.546 . . . . 0.0 111.764 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.646 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -94.61 60.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.742 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.56 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.66 0.266 . . . . 0.46999999999999997 110.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.31 131.22 57.0 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.324 -0.398 . . . . 1.3400000000000001 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -68.05 -27.04 66.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.2 110.994 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 m -73.29 -41.19 63.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -45.63 64.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.174 -0.676 . . . . 1.27 109.174 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.9 t -52.33 -52.02 55.52 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.262 -0.881 . . . . 1.0900000000000001 110.065 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -55.48 -46.18 76.91 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.051 -0.977 . . . . 2.8999999999999999 111.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 6' ' ' SER . 92.8 t -58.33 -40.58 78.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.289 . . . . 0.34000000000000002 110.454 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -67.21 -29.31 68.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.009 -0.541 . . . . 2.5099999999999998 110.418 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 82.0 m -80.02 -41.27 26.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.159 -0.473 . . . . 0.22 110.346 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.72 -36.61 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.808 0.337 . . . . 0.35999999999999999 110.415 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.29 -27.54 42.23 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.922 -0.581 . . . . 0.32000000000000001 111.545 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.4 mtt -92.95 13.73 19.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.648 -0.251 . . . . 1.9299999999999999 111.444 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 64.78 1.79 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.95 -0.643 . . . . 0.23999999999999999 113.447 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.4 m-85 -145.33 165.55 28.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.534 0.207 . . . . 1.24 110.518 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -2.32 56.68 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.765 0.654 . . . . 1.1299999999999999 112.765 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 165.66 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.798 0.333 . . . . 0.65000000000000002 111.179 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.04 157.46 29.72 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 112.258 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 20.1 pttt -146.17 -173.08 4.08 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.638 0.732 . . . . 2.8799999999999999 111.277 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.32 127.99 30.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.905 -1.043 . . . . 0.57999999999999996 111.047 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.87 -146.24 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.596 -0.729 . . . . 1.8300000000000001 109.116 179.406 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.662 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.66 -44.82 1.57 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.505 0.593 . . . . 1.1799999999999999 110.903 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.12 35.38 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.315 -0.857 . . . . 1.1299999999999999 110.354 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -141.35 123.2 15.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.261 -0.427 . . . . 2.6099999999999999 111.933 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -71.6 132.82 45.18 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.649 -0.705 . . . . 0.64000000000000001 111.316 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -121.16 147.23 45.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 2.6600000000000001 109.593 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 67.1 m -101.52 148.57 25.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.369 0.604 . . . . 0.48999999999999999 111.661 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.2 m-30 -97.88 64.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.043 -0.981 . . . . 1.9099999999999999 110.361 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 8.7 mtmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.108 -0.948 . . . . 3.3799999999999999 111.572 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.576 0.227 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.55 142.11 39.47 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 72.5 m -75.03 -28.75 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.277 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.6 t -73.45 -41.41 63.24 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.93 67.22 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.5 t -51.21 -52.1 47.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttp180 -56.12 -46.79 79.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.962 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 6' ' ' SER . 85.6 t -56.47 -38.47 56.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.48 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -68.26 -31.29 70.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 61.5 m -82.29 -38.12 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.398 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.5 t -62.52 -33.72 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.781 0.324 . . . . 0.0 110.527 179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.41 -24.03 24.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.881 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 mtp -93.6 14.56 18.56 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.332 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.04 65.39 1.81 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 120.927 -0.654 . . . . 0.0 113.566 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.05 173.01 12.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -102.45 -4.0 26.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.16 174.79 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.946 0.403 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.27 142.99 7.36 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.864 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -150.99 -179.17 7.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 111.43 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.6 m -122.3 129.88 52.6 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.247 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.655 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER -94.9 -137.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.655 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.59 -49.13 2.16 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.058 0.844 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 36.52 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -142.75 118.99 10.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -71.32 131.79 43.95 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.925 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -121.15 151.2 40.18 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.298 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.5 m -108.45 144.06 36.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.998 0.427 . . . . 0.0 110.783 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -113.27 76.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.484 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 1.4 mtpt . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.852 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.32 144.29 39.27 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.103 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -73.2 -30.42 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.465 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.3 m -72.27 -40.47 67.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.523 0.201 . . . . 0.0 110.511 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -47.54 60.59 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 49.4 t -49.68 -52.51 30.54 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.961 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.3 ttt180 -54.46 -47.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.219 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 6' ' ' SER . 93.4 t -54.04 -43.86 60.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.616 0.246 . . . . 0.0 110.523 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -31.76 72.94 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 75.3 m -77.18 -37.92 52.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.601 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.5 t -62.26 -35.12 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.496 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.77 -22.33 25.99 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.789 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 mmt -93.66 14.45 19.03 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.634 0.254 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 64.63 2.1 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.219 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.619 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.08 171.05 15.04 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.619 0.247 . . . . 0.0 110.643 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -96.95 -1.67 45.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.623 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.51 -175.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.473 0.309 . . . . 0.0 111.041 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.08 157.34 29.52 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.573 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -148.35 -178.87 6.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.647 0.737 . . . . 0.0 110.987 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 m -130.16 127.3 39.45 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.819 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.798 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -97.26 -139.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.614 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.649 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.95 -46.26 2.02 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.779 0.718 . . . . 0.0 111.369 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 32.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.356 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.798 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -142.34 125.72 16.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.23 0.538 . . . . 0.0 111.723 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -71.91 133.11 45.22 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -121.38 147.63 45.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.562 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 68.3 m -104.22 150.22 24.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.25 0.548 . . . . 0.0 111.607 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.623 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.4 m-30 -94.59 60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.136 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.69 138.82 44.39 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -69.23 -30.52 68.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -72.46 -40.52 66.93 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -46.07 66.05 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.4 t -51.87 -52.21 51.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.972 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.6 ttp180 -55.15 -48.3 73.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.975 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' SER . 84.5 t -54.04 -43.18 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -66.39 -31.6 72.47 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.591 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.7 m -77.13 -36.87 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 9' ' ' ARG . 97.5 t -65.42 -32.11 56.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 110.546 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.92 -27.02 26.87 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.755 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mtp -93.78 14.06 20.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.27 68.67 1.5 Allowed Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.415 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.654 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.7 m-85 -145.08 166.91 24.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.533 0.206 . . . . 0.0 110.46 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -90.13 -2.19 58.05 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 158.59 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.95 0.5 . . . . 0.0 110.641 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.66 158.86 31.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.664 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 50.0 pttt -143.96 178.72 7.66 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.738 0.78 . . . . 0.0 111.071 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 m -130.47 127.46 39.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.198 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.28 -144.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.186 179.446 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.89 -46.34 1.99 Allowed 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.494 0.588 . . . . 0.0 111.133 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 35.7 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.511 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.47 116.65 10.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.447 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -70.91 131.28 43.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.464 0.65 . . . . 0.0 110.705 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.73 153.31 35.83 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.502 179.177 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.9 m -107.97 153.11 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.313 0.578 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.9 m-30 -94.7 61.37 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.683 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.256 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.551 0.215 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.24 138.25 46.86 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.835 0.35 . . . . 0.0 111.074 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 83.4 p -72.55 -29.12 63.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.293 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 10' ' ' VAL . 34.8 m -74.76 -39.79 61.59 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -44.53 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 48.6 t -53.48 -51.6 62.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.974 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.0 ttp85 -55.4 -48.21 74.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.166 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 6' ' ' SER . 72.8 t -56.42 -38.87 57.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -68.03 -31.21 70.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.636 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.2 m -82.18 -37.56 25.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.544 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 9' ' ' ARG . 90.6 t -63.28 -34.49 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.543 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.23 25.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.842 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmt -93.54 14.16 19.66 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.49 68.08 1.56 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.476 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 95.6 m-85 -145.18 175.38 10.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.626 0.25 . . . . 0.0 110.476 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 -1.43 27.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 174.0 172.63 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 111.249 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -169.26 139.03 5.4 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.361 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 5.0 mttt -153.95 -172.47 4.23 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.395 0.617 . . . . 0.0 110.823 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.08 130.76 51.74 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.307 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -94.66 -136.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.88 -48.56 2.33 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.056 0.844 . . . . 0.0 110.812 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 37.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.376 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -145.06 124.55 13.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.583 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.12 134.24 47.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.753 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 11.0 tttt -126.13 145.75 50.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.322 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.1 m -103.89 143.57 32.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 64.5 m-85 -116.19 75.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.277 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.456 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.372 0.129 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.94 138.8 42.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.685 0.278 . . . . 0.0 111.458 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 32.7 t -73.63 -29.55 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.716 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.15 -39.63 60.24 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -45.42 63.96 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.5 t -51.58 -52.68 45.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.927 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -56.26 -47.64 78.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.161 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 6' ' ' SER . 86.6 t -55.67 -39.71 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -65.62 -34.35 78.02 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 63.3 m -78.94 -39.34 34.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.524 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.9 t -61.57 -34.92 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.493 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.86 -23.06 25.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.855 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.2 mtp -93.6 14.46 18.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.33 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.46 65.53 1.84 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.407 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.5 m-85 -145.14 175.7 10.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 -1.22 25.85 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.4 176.0 0.09 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.031 0.443 . . . . 0.0 111.309 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -171.75 141.5 6.4 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.966 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -148.91 179.38 7.9 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.545 0.688 . . . . 0.0 111.275 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 129.63 52.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.95 -138.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.07 -48.12 2.41 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.95 0.795 . . . . 0.0 110.784 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.69 35.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -142.27 119.85 11.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.5 t -72.48 131.14 42.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.488 0.661 . . . . 0.0 110.826 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.6 148.62 43.11 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.241 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 55.3 m -106.98 143.26 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.228 0.537 . . . . 0.0 111.191 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.88 75.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.262 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.78 0.324 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -101.62 119.8 39.34 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.834 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -61.87 -24.47 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.6 m -76.56 -41.5 46.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -44.74 46.47 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -34.96 79.58 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 3.9 ttt180 -59.14 -44.63 92.07 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 6' ' ' SER . 67.4 t -59.33 -36.67 65.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.711 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -64.73 -33.12 75.22 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.486 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m -75.85 -45.03 37.91 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.13 -35.15 55.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.34 33.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.872 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 mtt -93.75 15.31 16.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.07 54.38 2.61 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.337 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 97.4 m-85 -145.15 174.77 10.78 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.39 -0.03 20.85 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.18 174.45 0.44 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 111.358 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -170.03 142.53 7.28 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.666 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.528 ' CG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -126.53 -179.22 4.67 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.85 0.834 . . . . 0.0 112.234 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 m -139.97 130.39 25.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -113.84 -149.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.56 -47.34 1.9 Allowed 'General case' 0 C--N 1.339 0.134 0 CA-C-O 121.172 0.511 . . . . 0.0 111.545 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -173.63 38.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.753 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -142.09 145.34 34.18 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 7.7 t -110.69 134.44 52.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -114.91 124.17 51.01 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.508 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 39.9 m -93.76 143.95 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HE2' ' CG ' ' A' ' 21' ' ' LYS . 67.8 m-85 -117.24 77.56 1.14 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.363 -1.289 . . . . 0.0 111.604 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -115.52 137.36 52.14 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -30.46 70.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 m -69.1 -42.22 76.42 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -46.64 67.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.9 t -52.2 -51.67 56.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.819 178.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.9 ttt85 -54.43 -48.07 72.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.156 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' SER . 91.3 t -55.74 -41.81 67.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -30.37 70.0 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 71.7 m -79.96 -37.32 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.0 t -63.6 -34.57 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.546 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.39 -23.57 26.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.879 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.4 mmm -93.63 13.94 20.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.564 0.221 . . . . 0.0 111.492 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.42 1.83 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.411 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.6 m-85 -145.07 169.35 18.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.464 0.173 . . . . 0.0 110.561 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -92.98 -2.4 55.81 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.87 -174.22 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.8 156.74 28.82 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.713 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.0 pttm -145.11 -176.89 5.27 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.567 0.699 . . . . 0.0 111.034 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 m -132.25 128.0 36.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.048 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.738 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -101.56 -141.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.729 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -39.94 -46.65 2.08 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.575 0.625 . . . . 0.0 111.582 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.04 32.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.13 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.738 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -143.51 124.33 14.24 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 111.716 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -68.98 133.95 48.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.33 142.27 50.67 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.531 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.1 m -99.45 151.74 20.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.269 0.557 . . . . 0.0 111.827 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -95.02 63.35 2.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.182 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.014 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.66 0.267 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.65 119.7 39.02 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.315 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -62.25 -24.71 67.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.7 m -80.13 -38.81 30.72 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 -43.24 64.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 29.6 t -51.81 -54.4 29.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.183 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.7 ttp180 -54.97 -43.85 73.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' SER . 86.2 t -57.63 -37.68 60.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.49 -31.91 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.603 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.4 m -81.07 -38.3 27.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.337 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 9' ' ' ARG . 83.7 t -62.82 -33.71 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.42 -22.6 24.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.836 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.7 mtp -93.47 14.36 18.92 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.524 0.202 . . . . 0.0 111.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.74 63.62 2.07 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.913 -0.661 . . . . 0.0 113.199 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -145.12 165.5 28.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -86.92 -4.12 59.15 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 161.66 -174.0 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.815 0.446 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.93 162.67 34.83 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.516 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 21.9 pttp -150.85 177.02 10.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.024 0.916 . . . . 0.0 111.948 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 m -104.23 126.64 51.5 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.35 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.114 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -44.5 1.98 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.069 0.461 . . . . 0.0 110.727 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 35.01 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.291 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' ILE . 45.9 mttm -144.46 166.88 23.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.777 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -93.17 123.87 36.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.713 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 tptp -106.53 148.95 27.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.9 m -110.06 149.77 29.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.213 0.53 . . . . 0.0 111.812 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.7 m-30 -94.26 61.28 2.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.511 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.47 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.73 143.07 36.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.14 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.16 -28.4 61.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 p -73.06 -42.15 63.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.9 0.381 . . . . 0.0 110.14 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.59 -45.44 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.182 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 41.4 t -52.41 -51.89 56.69 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.9 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -55.76 -48.3 75.51 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 6' ' ' SER . 96.6 t -56.09 -41.06 67.58 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 CA-C-O 120.686 0.279 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -66.95 -29.9 69.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.495 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 93.7 m -80.52 -41.67 23.81 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.18 -30.79 50.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.913 0.387 . . . . 0.0 110.148 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.75 -29.67 45.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 10.7 ptp -94.7 1.84 55.53 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.652 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 62.1 0.76 Allowed Glycine 0 C--N 1.339 0.701 0 C-N-CA 120.764 -0.732 . . . . 0.0 114.24 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 80.9 m-85 -145.56 168.11 21.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.845 0.323 . . . . 0.0 110.653 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -91.76 -2.36 56.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 164.52 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.727 0.298 . . . . 0.0 111.178 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 157.91 29.49 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -149.72 179.58 7.9 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.682 0.753 . . . . 0.0 111.11 179.27 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -127.18 128.16 45.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.66 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -95.89 -141.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.66 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.05 -46.87 2.21 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.745 0.702 . . . . 0.0 110.973 179.605 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.53 36.35 0.01 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.386 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -142.0 121.58 13.34 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.515 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.7 t -72.56 132.36 43.69 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.497 0.665 . . . . 0.0 110.931 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -120.64 157.08 30.32 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.753 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.531 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.3 m -109.27 149.68 29.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.123 0.487 . . . . 0.0 111.706 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.0 m-30 -94.54 60.64 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.272 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.523 0.201 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.16 131.55 56.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.265 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -65.91 -29.45 69.88 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.4 t -70.82 -42.6 70.04 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -47.71 68.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 51.1 t -50.97 -52.16 45.41 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.961 178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.1 ttt180 -55.44 -47.55 75.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 6' ' ' SER . 98.2 t -56.08 -42.46 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -30.56 70.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 74.0 m -79.5 -37.77 35.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' ARG . 91.4 t -62.56 -35.62 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.51 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.17 -22.63 26.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.929 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.5 mmt -93.76 14.03 20.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.466 0.174 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.13 65.29 1.97 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.488 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.628 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.0 170.02 16.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.592 0.234 . . . . 0.0 110.45 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -93.49 -3.31 53.18 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.531 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 162.29 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.778 0.431 . . . . 0.0 111.036 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.46 156.43 28.15 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.806 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.59 -173.91 4.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.962 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -132.9 128.22 36.08 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.666 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -100.67 -141.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.518 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.88 -47.43 2.16 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.523 0.601 . . . . 0.0 111.424 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.17 33.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.235 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.666 ' HG2' HG22 ' A' ' 23' ' ' ILE . 5.3 ptpt -144.63 123.21 12.48 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.128 0.49 . . . . 0.0 111.759 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -66.07 134.01 51.95 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.133 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD3' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -123.04 138.82 54.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.892 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 72.1 m -96.34 150.7 20.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.384 0.611 . . . . 0.0 111.841 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.7 m-30 -94.88 63.31 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.659 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.655 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.649 0.262 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.44 128.2 55.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.952 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -65.37 -26.96 68.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -74.41 -41.09 61.5 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.167 179.407 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -46.44 66.52 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 38.7 t -50.4 -53.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.994 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 19.7 ttt180 -53.59 -45.78 70.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' SER . 88.9 t -55.01 -43.88 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -32.4 74.1 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.3 m -76.36 -38.47 55.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' ARG . 87.4 t -62.07 -34.53 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 120.688 0.28 . . . . 0.0 110.471 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -22.46 25.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.757 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.53 13.8 20.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.639 0.257 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 64.05 2.12 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.154 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.0 m-85 -144.99 169.4 18.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.645 0.259 . . . . 0.0 110.626 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -95.36 -1.4 51.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.13 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.617 0.246 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.14 159.96 32.5 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 8.2 pttp -146.8 -178.68 6.31 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.789 0.804 . . . . 0.0 111.199 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.3 m -129.22 127.36 41.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.071 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.94 -143.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.563 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.82 -45.79 1.84 Allowed 'General case' 0 C--N 1.342 0.268 0 CA-C-N 118.597 0.635 . . . . 0.0 111.497 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -175.55 28.7 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.732 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -140.55 132.77 28.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.13 0.491 . . . . 0.0 111.7 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -73.83 133.85 43.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -120.45 147.96 44.43 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.298 . . . . 0.0 109.373 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 73.3 m -105.81 150.59 25.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.212 0.53 . . . . 0.0 111.838 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.38 62.32 2.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.811 0.338 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -121.57 118.98 30.6 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -60.94 -25.94 67.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.265 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -79.61 -38.7 33.29 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.272 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -44.67 62.68 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 42.6 t -50.98 -53.44 33.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.094 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 ttp180 -53.89 -48.3 70.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.801 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' SER . 84.7 t -57.78 -38.13 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -68.34 -31.1 70.27 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.723 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 84.0 m -82.34 -37.45 25.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.49 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.8 t -63.69 -33.99 65.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 120.708 0.289 . . . . 0.0 110.488 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -22.53 25.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.907 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mmm -93.91 14.02 20.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.609 0.242 . . . . 0.0 111.438 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 64.1 2.1 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.47 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -144.49 163.64 33.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' SER . 1.9 m -85.71 -2.24 58.0 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.559 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.64 -175.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.735 0.414 . . . . 0.0 110.804 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -164.2 160.54 33.53 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.285 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 60.1 pttt -151.65 -177.23 5.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.036 0.922 . . . . 0.0 112.194 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -104.77 126.64 52.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.13 -1.396 . . . . 0.0 110.724 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.82 -149.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.236 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.06 -45.18 2.61 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.07 0.462 . . . . 0.0 110.828 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.16 33.38 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.357 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -145.43 160.28 41.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.243 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.7 t -85.71 125.16 32.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.545 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -109.81 146.33 35.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.652 177.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 95.3 m -106.76 151.65 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 111.576 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -94.51 61.4 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.608 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.642 0.258 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -110.53 141.86 43.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 13.5 t -75.97 -30.05 58.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.11 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -74.68 -39.96 61.67 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -45.8 65.96 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 47.1 t -52.48 -51.76 57.77 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.114 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttp85 -55.9 -47.93 76.54 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.138 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' SER . 75.8 t -57.17 -38.02 59.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 110.544 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -68.52 -31.57 70.91 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.67 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.5 m -81.14 -38.76 26.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.2 t -62.44 -33.99 62.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.753 0.311 . . . . 0.0 110.478 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.09 -25.19 27.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.834 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.1 mtt -93.55 14.42 18.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.5 0.191 . . . . 0.0 111.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 67.33 1.65 Allowed Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.368 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.8 m-85 -145.08 170.88 15.33 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -101.98 -2.44 29.7 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.99 170.42 0.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.46 139.3 5.59 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HG3' ' HE2' ' A' ' 30' ' ' TYR . 1.1 mttm -153.0 -174.29 4.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.433 0.635 . . . . 0.0 111.058 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.6 m -126.64 128.99 47.63 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.195 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.775 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.51 -134.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.498 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.647 ' N ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -39.95 -48.87 2.43 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 119.142 0.883 . . . . 0.0 110.992 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 35.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.771 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -144.07 126.96 16.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.515 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -72.32 133.75 45.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 4.0 tptt -124.85 144.53 50.25 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.6 m -103.44 143.6 32.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.709 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.585 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 66.5 m-85 -116.37 79.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.971 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.777 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.659 0.266 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.37 121.65 43.47 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.729 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -61.39 -26.23 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.237 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.8 m -74.19 -40.98 62.14 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.159 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -46.69 66.64 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.3 t -51.17 -52.56 42.99 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.129 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -54.63 -45.69 73.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.122 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 6' ' ' SER . 67.2 t -57.63 -38.52 64.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -69.31 -31.13 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.576 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 79.6 m -81.32 -37.01 29.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.378 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.1 t -63.27 -34.34 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.351 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.89 -23.3 25.26 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.71 14.26 19.71 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.577 0.227 . . . . 0.0 111.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.72 1.5 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.29 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 90.3 m-85 -145.15 168.63 19.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.586 0.231 . . . . 0.0 110.517 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -89.63 -2.23 58.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 159.13 -174.46 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.812 0.445 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.05 158.24 30.76 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.27 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -151.99 -167.79 2.88 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.485 0.66 . . . . 0.0 111.357 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.5 m -133.57 128.61 35.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.6 -144.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.97 -45.78 1.95 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.555 0.616 . . . . 0.0 110.939 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 35.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.298 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -144.55 124.91 13.83 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.605 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -64.31 135.57 56.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.153 179.492 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -125.96 147.03 49.62 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.851 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 66.9 m -102.66 150.11 23.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.218 0.532 . . . . 0.0 111.427 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.3 m-30 -94.92 64.48 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.132 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.03 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.456 0.169 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -107.78 142.06 38.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.7 p -74.67 -30.03 61.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -74.23 -39.75 62.87 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 110.372 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -46.34 63.56 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 53.4 t -50.96 -53.0 36.84 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.042 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.602 ' NH1' HG21 ' A' ' 13' ' ' VAL . 57.6 ttp85 -55.71 -48.0 75.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.178 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 6' ' ' SER . 90.0 t -56.44 -38.94 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.436 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.53 -30.48 69.29 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.506 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 70.5 m -81.64 -37.41 27.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG21 ' NH1' ' A' ' 9' ' ' ARG . 97.1 t -62.73 -34.83 67.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -22.73 25.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.698 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.5 mmt -93.57 13.86 20.65 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.618 0.247 . . . . 0.0 111.35 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 64.09 1.98 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.434 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.26 171.92 13.88 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.57 -6.92 26.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.64 177.31 0.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 111.553 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -172.26 142.45 6.86 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.063 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -150.89 -177.29 5.92 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.566 0.698 . . . . 0.0 111.031 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.7 m -123.2 128.91 50.69 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.17 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.98 -135.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.331 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.653 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.97 -48.14 2.34 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.011 0.823 . . . . 0.0 111.235 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -176.67 34.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.787 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.731 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -145.19 125.55 13.92 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 111.807 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -72.67 132.28 43.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.925 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -122.33 145.15 48.52 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.915 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 57.8 m -102.6 144.31 31.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 54.3 m-85 -114.53 76.38 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.17 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 22.7 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.56 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.579 0.228 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.62 135.86 53.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.03 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -29.58 67.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 t -73.59 -40.05 64.15 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.409 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.85 -45.07 65.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.4 t -52.07 -52.55 50.43 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.851 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.6 ttt180 -53.64 -48.11 69.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.049 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 6' ' ' SER . 84.9 t -55.1 -43.32 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.75 -30.55 71.22 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.4 m -78.63 -38.77 38.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ARG . 88.9 t -62.49 -33.4 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.892 0.377 . . . . 0.0 110.382 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.28 27.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.758 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 mtm -93.53 14.5 18.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.634 0.254 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.82 66.4 1.83 Allowed Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.423 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.629 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.3 m-85 -145.16 169.78 17.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.713 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -2.85 50.68 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.542 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 162.82 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.747 0.419 . . . . 0.0 110.923 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.4 159.87 32.84 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.694 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 26.0 pttt -147.31 -177.54 5.74 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.564 0.697 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 m -130.55 127.79 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.037 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.666 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -97.75 -143.89 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.666 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.94 -46.22 2.0 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.582 0.628 . . . . 0.0 111.017 179.534 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.61 35.95 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -142.31 120.78 12.44 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.487 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -67.22 132.49 47.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 148.0 44.29 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.579 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 77.3 m -105.71 150.93 25.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 111.713 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.39 61.19 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.433 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.519 0.199 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 3.1 m-85 -96.51 116.37 28.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.465 ' HB3' ' HD2' ' A' ' 21' ' ' LYS . 44.7 m -60.46 -23.83 64.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.525 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.5 t -78.54 -41.02 33.31 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.061 0.458 . . . . 0.0 109.808 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -44.48 44.12 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.028 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -65.53 -34.07 77.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.951 179.056 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 2.2 ttp180 -59.26 -44.87 92.39 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 6' ' ' SER . 61.0 t -59.69 -34.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -65.34 -33.0 74.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.54 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 98.1 m -76.82 -44.76 31.24 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 80.0 t -59.04 -33.69 50.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.679 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.01 -20.9 28.16 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.737 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmt -93.96 15.76 16.04 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.646 0.26 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 50.12 3.2 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.38 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 97.1 m-85 -144.99 176.54 9.41 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.654 0.227 . . . . 0.0 110.681 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -110.23 1.14 18.46 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.58 174.59 0.49 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.062 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.71 148.33 12.28 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.724 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HG2' ' HE2' ' A' ' 30' ' ' TYR . 4.5 mmmt -127.93 177.48 6.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.873 0.844 . . . . 0.0 112.443 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 7.8 m -138.23 128.96 26.67 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.346 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.565 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -111.91 -152.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.717 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.36 -45.2 1.42 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.008 0.433 . . . . 0.0 111.592 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -173.77 37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.981 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -140.7 149.69 42.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.309 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.1 t -115.68 134.12 55.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.756 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 6.5 tptm -111.19 144.22 40.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.91 178.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 52.7 m -111.07 143.76 41.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.073 0.463 . . . . 0.0 110.263 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HE2' ' HG2' ' A' ' 21' ' ' LYS . 69.4 m-85 -116.85 78.44 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.891 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.71 134.78 51.59 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -67.62 -29.01 68.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -73.22 -40.83 64.38 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.15 -45.73 66.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.8 t -51.85 -52.51 48.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.807 178.282 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.7 ttt85 -54.94 -48.23 73.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.081 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 6' ' ' SER . 87.8 t -55.04 -43.4 69.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -65.69 -30.32 70.99 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.593 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 88.2 m -79.58 -39.68 31.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 9' ' ' ARG . 82.8 t -61.88 -34.24 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.233 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -22.65 25.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.854 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.7 mmt -93.59 13.97 20.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.37 61.93 2.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.18 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.4 m-85 -145.03 166.85 24.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.763 0.315 . . . . 0.0 110.549 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -92.51 -2.87 55.9 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.677 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.34 -173.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.645 0.378 . . . . 0.0 110.836 179.664 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 159.93 33.26 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.604 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 13.0 pttp -144.18 176.85 9.02 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.833 0.825 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 m -129.09 126.8 40.16 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -103.66 -142.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.798 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -39.73 -46.67 1.93 Allowed 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.523 0.601 . . . . 0.0 111.656 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 32.69 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.277 179.106 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 23' ' ' ILE . 1.3 ptmt -142.94 122.46 13.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.257 0.551 . . . . 0.0 111.632 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 t -70.64 131.94 44.68 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -118.08 150.07 39.95 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.603 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 91.1 m -106.69 151.53 24.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.247 0.546 . . . . 0.0 111.764 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -94.61 60.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.742 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.56 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.727 0.299 . . . . 2.0899999999999999 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.58 121.65 31.98 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 0.77000000000000002 111.07 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 121.06 27.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.169 -0.469 . . . . 0.46999999999999997 110.822 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.31 131.22 57.0 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.324 -0.398 . . . . 1.3400000000000001 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -68.05 -27.04 66.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.2 110.994 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 m -73.29 -41.19 63.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -45.63 64.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.174 -0.676 . . . . 1.27 109.174 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.9 t -52.33 -52.02 55.52 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.262 -0.881 . . . . 1.0900000000000001 110.065 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -55.48 -46.18 76.91 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.051 -0.977 . . . . 2.8999999999999999 111.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 6' ' ' SER . 92.8 t -58.33 -40.58 78.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.289 . . . . 0.34000000000000002 110.454 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -67.21 -29.31 68.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.009 -0.541 . . . . 2.5099999999999998 110.418 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 82.0 m -80.02 -41.27 26.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.159 -0.473 . . . . 0.22 110.346 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.72 -36.61 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.808 0.337 . . . . 0.35999999999999999 110.415 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.29 -27.54 42.23 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.922 -0.581 . . . . 0.32000000000000001 111.545 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.4 mtt -92.95 13.73 19.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.648 -0.251 . . . . 1.9299999999999999 111.444 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 64.78 1.79 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.95 -0.643 . . . . 0.23999999999999999 113.447 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.4 m-85 -145.33 165.55 28.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.534 0.207 . . . . 1.24 110.518 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -2.32 56.68 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.765 0.654 . . . . 1.1299999999999999 112.765 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 165.66 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.798 0.333 . . . . 0.65000000000000002 111.179 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.04 157.46 29.72 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 112.258 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 20.1 pttt -146.17 -173.08 4.08 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.638 0.732 . . . . 2.8799999999999999 111.277 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.32 127.99 30.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.905 -1.043 . . . . 0.57999999999999996 111.047 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.87 -146.24 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.596 -0.729 . . . . 1.8300000000000001 109.116 179.406 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.662 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.66 -44.82 1.57 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.505 0.593 . . . . 1.1799999999999999 110.903 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.12 35.38 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.315 -0.857 . . . . 1.1299999999999999 110.354 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -141.35 123.2 15.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.261 -0.427 . . . . 2.6099999999999999 111.933 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -71.6 132.82 45.18 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.649 -0.705 . . . . 0.64000000000000001 111.316 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -121.16 147.23 45.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 2.6600000000000001 109.593 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 67.1 m -101.52 148.57 25.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.369 0.604 . . . . 0.48999999999999999 111.661 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.2 m-30 -97.88 64.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.043 -0.981 . . . . 1.9099999999999999 110.361 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 8.7 mtmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.108 -0.948 . . . . 3.3799999999999999 111.572 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.89 127.34 35.64 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -122.17 120.5 34.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.55 142.11 39.47 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 72.5 m -75.03 -28.75 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.277 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.6 t -73.45 -41.41 63.24 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.93 67.22 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.5 t -51.21 -52.1 47.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttp180 -56.12 -46.79 79.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.962 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 6' ' ' SER . 85.6 t -56.47 -38.47 56.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.48 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -68.26 -31.29 70.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 61.5 m -82.29 -38.12 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.398 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.5 t -62.52 -33.72 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.781 0.324 . . . . 0.0 110.527 179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.41 -24.03 24.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.881 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 mtp -93.6 14.56 18.56 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.332 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.04 65.39 1.81 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 120.927 -0.654 . . . . 0.0 113.566 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.05 173.01 12.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -102.45 -4.0 26.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.16 174.79 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.946 0.403 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.27 142.99 7.36 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.864 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -150.99 -179.17 7.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 111.43 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.6 m -122.3 129.88 52.6 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.247 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.655 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER -94.9 -137.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.655 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.59 -49.13 2.16 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.058 0.844 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 36.52 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -142.75 118.99 10.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -71.32 131.79 43.95 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.925 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -121.15 151.2 40.18 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.298 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.5 m -108.45 144.06 36.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.998 0.427 . . . . 0.0 110.783 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -113.27 76.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.484 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 1.4 mtpt . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.852 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.03 165.99 3.84 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.918 0.39 . . . . 0.0 111.432 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.52 116.01 22.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.32 144.29 39.27 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.103 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -73.2 -30.42 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.465 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.3 m -72.27 -40.47 67.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.523 0.201 . . . . 0.0 110.511 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -47.54 60.59 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 49.4 t -49.68 -52.51 30.54 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.961 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.3 ttt180 -54.46 -47.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.219 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 6' ' ' SER . 93.4 t -54.04 -43.86 60.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.616 0.246 . . . . 0.0 110.523 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -31.76 72.94 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 75.3 m -77.18 -37.92 52.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.601 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.5 t -62.26 -35.12 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.496 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.77 -22.33 25.99 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.789 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 mmt -93.66 14.45 19.03 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.634 0.254 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 64.63 2.1 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.219 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.619 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.08 171.05 15.04 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.619 0.247 . . . . 0.0 110.643 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -96.95 -1.67 45.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.623 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.51 -175.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.473 0.309 . . . . 0.0 111.041 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.08 157.34 29.52 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.573 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -148.35 -178.87 6.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.647 0.737 . . . . 0.0 110.987 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 m -130.16 127.3 39.45 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.819 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.798 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -97.26 -139.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.614 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.649 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.95 -46.26 2.02 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.779 0.718 . . . . 0.0 111.369 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 32.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.356 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.798 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -142.34 125.72 16.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.23 0.538 . . . . 0.0 111.723 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -71.91 133.11 45.22 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -121.38 147.63 45.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.562 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 68.3 m -104.22 150.22 24.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.25 0.548 . . . . 0.0 111.607 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.623 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.4 m-30 -94.59 60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.136 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.714 0.292 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.52 118.43 12.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.63 118.61 25.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.962 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.69 138.82 44.39 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -69.23 -30.52 68.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -72.46 -40.52 66.93 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -46.07 66.05 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.4 t -51.87 -52.21 51.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.972 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.6 ttp180 -55.15 -48.3 73.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.975 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' SER . 84.5 t -54.04 -43.18 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -66.39 -31.6 72.47 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.591 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.7 m -77.13 -36.87 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 9' ' ' ARG . 97.5 t -65.42 -32.11 56.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 110.546 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.92 -27.02 26.87 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.755 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mtp -93.78 14.06 20.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.27 68.67 1.5 Allowed Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.415 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.654 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.7 m-85 -145.08 166.91 24.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.533 0.206 . . . . 0.0 110.46 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -90.13 -2.19 58.05 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 158.59 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.95 0.5 . . . . 0.0 110.641 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.66 158.86 31.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.664 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 50.0 pttt -143.96 178.72 7.66 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.738 0.78 . . . . 0.0 111.071 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 m -130.47 127.46 39.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.198 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.28 -144.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.186 179.446 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.89 -46.34 1.99 Allowed 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.494 0.588 . . . . 0.0 111.133 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 35.7 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.511 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.47 116.65 10.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.447 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -70.91 131.28 43.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.464 0.65 . . . . 0.0 110.705 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.73 153.31 35.83 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.502 179.177 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.9 m -107.97 153.11 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.313 0.578 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.9 m-30 -94.7 61.37 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.683 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.256 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.478 0.18 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.14 158.95 18.4 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 111.405 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.1 120.59 34.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.24 138.25 46.86 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.835 0.35 . . . . 0.0 111.074 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 83.4 p -72.55 -29.12 63.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.293 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 10' ' ' VAL . 34.8 m -74.76 -39.79 61.59 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -44.53 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 48.6 t -53.48 -51.6 62.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.974 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.0 ttp85 -55.4 -48.21 74.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.166 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 6' ' ' SER . 72.8 t -56.42 -38.87 57.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -68.03 -31.21 70.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.636 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.2 m -82.18 -37.56 25.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.544 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 9' ' ' ARG . 90.6 t -63.28 -34.49 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.543 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.23 25.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.842 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmt -93.54 14.16 19.66 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.49 68.08 1.56 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.476 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 95.6 m-85 -145.18 175.38 10.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.626 0.25 . . . . 0.0 110.476 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 -1.43 27.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 174.0 172.63 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 111.249 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -169.26 139.03 5.4 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.361 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 5.0 mttt -153.95 -172.47 4.23 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.395 0.617 . . . . 0.0 110.823 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.08 130.76 51.74 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.307 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -94.66 -136.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.88 -48.56 2.33 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.056 0.844 . . . . 0.0 110.812 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 37.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.376 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -145.06 124.55 13.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.583 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.12 134.24 47.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.753 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 11.0 tttt -126.13 145.75 50.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.322 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.1 m -103.89 143.57 32.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 64.5 m-85 -116.19 75.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.277 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.456 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.413 0.149 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.2 130.38 40.11 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 111.086 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -123.27 122.65 38.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.94 138.8 42.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.685 0.278 . . . . 0.0 111.458 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 32.7 t -73.63 -29.55 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.716 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.15 -39.63 60.24 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -45.42 63.96 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.5 t -51.58 -52.68 45.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.927 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -56.26 -47.64 78.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.161 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 6' ' ' SER . 86.6 t -55.67 -39.71 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -65.62 -34.35 78.02 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 63.3 m -78.94 -39.34 34.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.524 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.9 t -61.57 -34.92 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.493 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.86 -23.06 25.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.855 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.2 mtp -93.6 14.46 18.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.33 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.46 65.53 1.84 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.407 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.5 m-85 -145.14 175.7 10.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 -1.22 25.85 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.4 176.0 0.09 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.031 0.443 . . . . 0.0 111.309 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -171.75 141.5 6.4 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.966 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -148.91 179.38 7.9 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.545 0.688 . . . . 0.0 111.275 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 129.63 52.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.95 -138.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.07 -48.12 2.41 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.95 0.795 . . . . 0.0 110.784 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.69 35.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -142.27 119.85 11.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.5 t -72.48 131.14 42.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.488 0.661 . . . . 0.0 110.826 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.6 148.62 43.11 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.241 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 55.3 m -106.98 143.26 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.228 0.537 . . . . 0.0 111.191 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.88 75.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.262 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.04 152.87 26.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.557 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t -84.33 111.99 19.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.949 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -101.62 119.8 39.34 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.834 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -61.87 -24.47 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.6 m -76.56 -41.5 46.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -44.74 46.47 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -34.96 79.58 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 3.9 ttt180 -59.14 -44.63 92.07 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 6' ' ' SER . 67.4 t -59.33 -36.67 65.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.711 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -64.73 -33.12 75.22 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.486 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m -75.85 -45.03 37.91 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.13 -35.15 55.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.34 33.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.872 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 mtt -93.75 15.31 16.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.07 54.38 2.61 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.337 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 97.4 m-85 -145.15 174.77 10.78 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.39 -0.03 20.85 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.18 174.45 0.44 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 111.358 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -170.03 142.53 7.28 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.666 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.528 ' CG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -126.53 -179.22 4.67 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.85 0.834 . . . . 0.0 112.234 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 m -139.97 130.39 25.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -113.84 -149.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.56 -47.34 1.9 Allowed 'General case' 0 C--N 1.339 0.134 0 CA-C-O 121.172 0.511 . . . . 0.0 111.545 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -173.63 38.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.753 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -142.09 145.34 34.18 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 7.7 t -110.69 134.44 52.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -114.91 124.17 51.01 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.508 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 39.9 m -93.76 143.95 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HE2' ' CG ' ' A' ' 21' ' ' LYS . 67.8 m-85 -117.24 77.56 1.14 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.363 -1.289 . . . . 0.0 111.604 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.684 0.278 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.39 122.36 28.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -104.82 124.3 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -115.52 137.36 52.14 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -30.46 70.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 m -69.1 -42.22 76.42 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -46.64 67.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.9 t -52.2 -51.67 56.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.819 178.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.9 ttt85 -54.43 -48.07 72.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.156 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' SER . 91.3 t -55.74 -41.81 67.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -30.37 70.0 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 71.7 m -79.96 -37.32 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.0 t -63.6 -34.57 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.546 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.39 -23.57 26.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.879 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.4 mmm -93.63 13.94 20.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.564 0.221 . . . . 0.0 111.492 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.42 1.83 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.411 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.6 m-85 -145.07 169.35 18.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.464 0.173 . . . . 0.0 110.561 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -92.98 -2.4 55.81 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.87 -174.22 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.8 156.74 28.82 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.713 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.0 pttm -145.11 -176.89 5.27 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.567 0.699 . . . . 0.0 111.034 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 m -132.25 128.0 36.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.048 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.738 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -101.56 -141.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.729 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -39.94 -46.65 2.08 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.575 0.625 . . . . 0.0 111.582 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.04 32.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.13 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.738 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -143.51 124.33 14.24 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 111.716 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -68.98 133.95 48.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.33 142.27 50.67 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.531 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.1 m -99.45 151.74 20.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.269 0.557 . . . . 0.0 111.827 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -95.02 63.35 2.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.182 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.014 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.692 0.282 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 146.03 51.43 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.23 133.91 34.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.65 119.7 39.02 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.315 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -62.25 -24.71 67.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.7 m -80.13 -38.81 30.72 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 -43.24 64.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 29.6 t -51.81 -54.4 29.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.183 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.7 ttp180 -54.97 -43.85 73.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' SER . 86.2 t -57.63 -37.68 60.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.49 -31.91 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.603 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.4 m -81.07 -38.3 27.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.337 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 9' ' ' ARG . 83.7 t -62.82 -33.71 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.42 -22.6 24.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.836 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.7 mtp -93.47 14.36 18.92 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.524 0.202 . . . . 0.0 111.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.74 63.62 2.07 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.913 -0.661 . . . . 0.0 113.199 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -145.12 165.5 28.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -86.92 -4.12 59.15 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 161.66 -174.0 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.815 0.446 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.93 162.67 34.83 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.516 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 21.9 pttp -150.85 177.02 10.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.024 0.916 . . . . 0.0 111.948 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 m -104.23 126.64 51.5 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.35 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.114 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -44.5 1.98 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.069 0.461 . . . . 0.0 110.727 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 35.01 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.291 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' ILE . 45.9 mttm -144.46 166.88 23.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.777 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -93.17 123.87 36.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.713 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 tptp -106.53 148.95 27.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.9 m -110.06 149.77 29.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.213 0.53 . . . . 0.0 111.812 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.7 m-30 -94.26 61.28 2.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.511 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.47 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.33 148.95 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.39 108.96 19.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 120.666 0.27 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.84 107.77 19.16 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.933 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -87.53 115.53 25.02 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.996 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.73 143.07 36.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.14 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.16 -28.4 61.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 p -73.06 -42.15 63.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.9 0.381 . . . . 0.0 110.14 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.59 -45.44 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.182 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 41.4 t -52.41 -51.89 56.69 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.9 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -55.76 -48.3 75.51 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 6' ' ' SER . 96.6 t -56.09 -41.06 67.58 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 CA-C-O 120.686 0.279 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -66.95 -29.9 69.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.495 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 93.7 m -80.52 -41.67 23.81 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.18 -30.79 50.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.913 0.387 . . . . 0.0 110.148 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.75 -29.67 45.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 10.7 ptp -94.7 1.84 55.53 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.652 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 62.1 0.76 Allowed Glycine 0 C--N 1.339 0.701 0 C-N-CA 120.764 -0.732 . . . . 0.0 114.24 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 80.9 m-85 -145.56 168.11 21.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.845 0.323 . . . . 0.0 110.653 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -91.76 -2.36 56.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 164.52 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.727 0.298 . . . . 0.0 111.178 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 157.91 29.49 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -149.72 179.58 7.9 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.682 0.753 . . . . 0.0 111.11 179.27 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -127.18 128.16 45.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.66 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -95.89 -141.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.66 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.05 -46.87 2.21 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.745 0.702 . . . . 0.0 110.973 179.605 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.53 36.35 0.01 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.386 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -142.0 121.58 13.34 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.515 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.7 t -72.56 132.36 43.69 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.497 0.665 . . . . 0.0 110.931 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -120.64 157.08 30.32 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.753 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.531 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.3 m -109.27 149.68 29.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.123 0.487 . . . . 0.0 111.706 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.0 m-30 -94.54 60.64 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.272 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.779 0.323 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.24 121.09 31.95 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.84 128.76 36.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.16 131.55 56.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.265 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -65.91 -29.45 69.88 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.4 t -70.82 -42.6 70.04 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -47.71 68.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 51.1 t -50.97 -52.16 45.41 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.961 178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.1 ttt180 -55.44 -47.55 75.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 6' ' ' SER . 98.2 t -56.08 -42.46 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -30.56 70.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 74.0 m -79.5 -37.77 35.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' ARG . 91.4 t -62.56 -35.62 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.51 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.17 -22.63 26.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.929 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.5 mmt -93.76 14.03 20.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.466 0.174 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.13 65.29 1.97 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.488 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.628 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.0 170.02 16.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.592 0.234 . . . . 0.0 110.45 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -93.49 -3.31 53.18 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.531 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 162.29 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.778 0.431 . . . . 0.0 111.036 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.46 156.43 28.15 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.806 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.59 -173.91 4.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.962 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -132.9 128.22 36.08 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.666 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -100.67 -141.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.518 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.88 -47.43 2.16 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.523 0.601 . . . . 0.0 111.424 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.17 33.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.235 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.666 ' HG2' HG22 ' A' ' 23' ' ' ILE . 5.3 ptpt -144.63 123.21 12.48 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.128 0.49 . . . . 0.0 111.759 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -66.07 134.01 51.95 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.133 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD3' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -123.04 138.82 54.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.892 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 72.1 m -96.34 150.7 20.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.384 0.611 . . . . 0.0 111.841 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.7 m-30 -94.88 63.31 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.659 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.655 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.0 136.78 32.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -86.08 128.97 34.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.44 128.2 55.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.952 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -65.37 -26.96 68.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -74.41 -41.09 61.5 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.167 179.407 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -46.44 66.52 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 38.7 t -50.4 -53.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.994 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 19.7 ttt180 -53.59 -45.78 70.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' SER . 88.9 t -55.01 -43.88 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -32.4 74.1 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.3 m -76.36 -38.47 55.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' ARG . 87.4 t -62.07 -34.53 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 120.688 0.28 . . . . 0.0 110.471 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -22.46 25.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.757 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.53 13.8 20.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.639 0.257 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 64.05 2.12 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.154 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.0 m-85 -144.99 169.4 18.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.645 0.259 . . . . 0.0 110.626 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -95.36 -1.4 51.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.13 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.617 0.246 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.14 159.96 32.5 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 8.2 pttp -146.8 -178.68 6.31 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.789 0.804 . . . . 0.0 111.199 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.3 m -129.22 127.36 41.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.071 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.94 -143.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.563 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.82 -45.79 1.84 Allowed 'General case' 0 C--N 1.342 0.268 0 CA-C-N 118.597 0.635 . . . . 0.0 111.497 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -175.55 28.7 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.732 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -140.55 132.77 28.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.13 0.491 . . . . 0.0 111.7 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -73.83 133.85 43.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -120.45 147.96 44.43 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.298 . . . . 0.0 109.373 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 73.3 m -105.81 150.59 25.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.212 0.53 . . . . 0.0 111.838 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.38 62.32 2.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.33 148.95 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.39 108.96 19.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.76 86.22 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -89.87 138.39 31.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.416 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -121.57 118.98 30.6 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -60.94 -25.94 67.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.265 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -79.61 -38.7 33.29 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.272 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -44.67 62.68 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 42.6 t -50.98 -53.44 33.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.094 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 ttp180 -53.89 -48.3 70.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.801 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' SER . 84.7 t -57.78 -38.13 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -68.34 -31.1 70.27 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.723 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 84.0 m -82.34 -37.45 25.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.49 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.8 t -63.69 -33.99 65.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 120.708 0.289 . . . . 0.0 110.488 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -22.53 25.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.907 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mmm -93.91 14.02 20.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.609 0.242 . . . . 0.0 111.438 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 64.1 2.1 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.47 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -144.49 163.64 33.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' SER . 1.9 m -85.71 -2.24 58.0 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.559 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.64 -175.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.735 0.414 . . . . 0.0 110.804 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -164.2 160.54 33.53 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.285 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 60.1 pttt -151.65 -177.23 5.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.036 0.922 . . . . 0.0 112.194 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -104.77 126.64 52.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.13 -1.396 . . . . 0.0 110.724 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.82 -149.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.236 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.06 -45.18 2.61 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.07 0.462 . . . . 0.0 110.828 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.16 33.38 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.357 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -145.43 160.28 41.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.243 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.7 t -85.71 125.16 32.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.545 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -109.81 146.33 35.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.652 177.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 95.3 m -106.76 151.65 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 111.576 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -94.51 61.4 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.608 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.792 0.33 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.56 148.81 51.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.38 116.22 24.4 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -110.53 141.86 43.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 13.5 t -75.97 -30.05 58.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.11 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -74.68 -39.96 61.67 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -45.8 65.96 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 47.1 t -52.48 -51.76 57.77 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.114 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttp85 -55.9 -47.93 76.54 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.138 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' SER . 75.8 t -57.17 -38.02 59.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 110.544 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -68.52 -31.57 70.91 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.67 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.5 m -81.14 -38.76 26.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.2 t -62.44 -33.99 62.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.753 0.311 . . . . 0.0 110.478 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.09 -25.19 27.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.834 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.1 mtt -93.55 14.42 18.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.5 0.191 . . . . 0.0 111.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 67.33 1.65 Allowed Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.368 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.8 m-85 -145.08 170.88 15.33 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -101.98 -2.44 29.7 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.99 170.42 0.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.46 139.3 5.59 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HG3' ' HE2' ' A' ' 30' ' ' TYR . 1.1 mttm -153.0 -174.29 4.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.433 0.635 . . . . 0.0 111.058 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.6 m -126.64 128.99 47.63 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.195 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.775 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.51 -134.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.498 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.647 ' N ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -39.95 -48.87 2.43 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 119.142 0.883 . . . . 0.0 110.992 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 35.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.771 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -144.07 126.96 16.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.515 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -72.32 133.75 45.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 4.0 tptt -124.85 144.53 50.25 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.6 m -103.44 143.6 32.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.709 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.585 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 66.5 m-85 -116.37 79.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.971 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.777 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.51 117.19 5.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.886 0.374 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.05 127.62 45.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.117 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.37 121.65 43.47 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.729 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -61.39 -26.23 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.237 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.8 m -74.19 -40.98 62.14 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.159 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -46.69 66.64 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.3 t -51.17 -52.56 42.99 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.129 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -54.63 -45.69 73.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.122 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 6' ' ' SER . 67.2 t -57.63 -38.52 64.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -69.31 -31.13 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.576 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 79.6 m -81.32 -37.01 29.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.378 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.1 t -63.27 -34.34 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.351 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.89 -23.3 25.26 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.71 14.26 19.71 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.577 0.227 . . . . 0.0 111.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.72 1.5 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.29 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 90.3 m-85 -145.15 168.63 19.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.586 0.231 . . . . 0.0 110.517 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -89.63 -2.23 58.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 159.13 -174.46 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.812 0.445 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.05 158.24 30.76 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.27 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -151.99 -167.79 2.88 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.485 0.66 . . . . 0.0 111.357 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.5 m -133.57 128.61 35.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.6 -144.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.97 -45.78 1.95 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.555 0.616 . . . . 0.0 110.939 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 35.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.298 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -144.55 124.91 13.83 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.605 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -64.31 135.57 56.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.153 179.492 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -125.96 147.03 49.62 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.851 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 66.9 m -102.66 150.11 23.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.218 0.532 . . . . 0.0 111.427 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.3 m-30 -94.92 64.48 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.132 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.03 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.29 113.47 24.73 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.81 119.43 32.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -107.78 142.06 38.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.7 p -74.67 -30.03 61.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -74.23 -39.75 62.87 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 110.372 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -46.34 63.56 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 53.4 t -50.96 -53.0 36.84 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.042 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.602 ' NH1' HG21 ' A' ' 13' ' ' VAL . 57.6 ttp85 -55.71 -48.0 75.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.178 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 6' ' ' SER . 90.0 t -56.44 -38.94 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.436 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.53 -30.48 69.29 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.506 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 70.5 m -81.64 -37.41 27.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG21 ' NH1' ' A' ' 9' ' ' ARG . 97.1 t -62.73 -34.83 67.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -22.73 25.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.698 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.5 mmt -93.57 13.86 20.65 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.618 0.247 . . . . 0.0 111.35 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 64.09 1.98 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.434 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.26 171.92 13.88 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.57 -6.92 26.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.64 177.31 0.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 111.553 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -172.26 142.45 6.86 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.063 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -150.89 -177.29 5.92 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.566 0.698 . . . . 0.0 111.031 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.7 m -123.2 128.91 50.69 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.17 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.98 -135.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.331 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.653 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.97 -48.14 2.34 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.011 0.823 . . . . 0.0 111.235 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -176.67 34.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.787 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.731 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -145.19 125.55 13.92 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 111.807 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -72.67 132.28 43.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.925 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -122.33 145.15 48.52 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.915 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 57.8 m -102.6 144.31 31.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 54.3 m-85 -114.53 76.38 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.17 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 22.7 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.56 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.08 145.09 55.69 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t -104.8 124.12 48.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.251 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.62 135.86 53.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.03 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -29.58 67.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 t -73.59 -40.05 64.15 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.409 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.85 -45.07 65.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.4 t -52.07 -52.55 50.43 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.851 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.6 ttt180 -53.64 -48.11 69.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.049 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 6' ' ' SER . 84.9 t -55.1 -43.32 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.75 -30.55 71.22 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.4 m -78.63 -38.77 38.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ARG . 88.9 t -62.49 -33.4 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.892 0.377 . . . . 0.0 110.382 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.28 27.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.758 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 mtm -93.53 14.5 18.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.634 0.254 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.82 66.4 1.83 Allowed Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.423 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.629 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.3 m-85 -145.16 169.78 17.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.713 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -2.85 50.68 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.542 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 162.82 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.747 0.419 . . . . 0.0 110.923 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.4 159.87 32.84 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.694 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 26.0 pttt -147.31 -177.54 5.74 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.564 0.697 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 m -130.55 127.79 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.037 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.666 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -97.75 -143.89 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.666 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.94 -46.22 2.0 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.582 0.628 . . . . 0.0 111.017 179.534 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.61 35.95 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -142.31 120.78 12.44 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.487 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -67.22 132.49 47.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 148.0 44.29 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.579 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 77.3 m -105.71 150.93 25.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 111.713 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.39 61.19 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.433 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 117.38 13.7 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.319 . . . . 0.0 111.257 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t -85.15 110.51 19.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 3.1 m-85 -96.51 116.37 28.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.465 ' HB3' ' HD2' ' A' ' 21' ' ' LYS . 44.7 m -60.46 -23.83 64.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.525 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.5 t -78.54 -41.02 33.31 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.061 0.458 . . . . 0.0 109.808 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -44.48 44.12 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.028 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -65.53 -34.07 77.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.951 179.056 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 2.2 ttp180 -59.26 -44.87 92.39 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 6' ' ' SER . 61.0 t -59.69 -34.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -65.34 -33.0 74.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.54 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 98.1 m -76.82 -44.76 31.24 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 80.0 t -59.04 -33.69 50.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.679 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.01 -20.9 28.16 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.737 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmt -93.96 15.76 16.04 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.646 0.26 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 50.12 3.2 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.38 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 97.1 m-85 -144.99 176.54 9.41 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.654 0.227 . . . . 0.0 110.681 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -110.23 1.14 18.46 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.58 174.59 0.49 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.062 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.71 148.33 12.28 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.724 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HG2' ' HE2' ' A' ' 30' ' ' TYR . 4.5 mmmt -127.93 177.48 6.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.873 0.844 . . . . 0.0 112.443 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 7.8 m -138.23 128.96 26.67 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.346 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.565 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -111.91 -152.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.717 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.36 -45.2 1.42 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.008 0.433 . . . . 0.0 111.592 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -173.77 37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.981 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -140.7 149.69 42.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.309 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.1 t -115.68 134.12 55.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.756 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 6.5 tptm -111.19 144.22 40.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.91 178.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 52.7 m -111.07 143.76 41.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.073 0.463 . . . . 0.0 110.263 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HE2' ' HG2' ' A' ' 21' ' ' LYS . 69.4 m-85 -116.85 78.44 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.891 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.56 140.28 46.18 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.727 0.299 . . . . 0.0 111.267 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -111.49 123.83 51.03 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.71 134.78 51.59 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -67.62 -29.01 68.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -73.22 -40.83 64.38 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.15 -45.73 66.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.8 t -51.85 -52.51 48.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.807 178.282 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.7 ttt85 -54.94 -48.23 73.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.081 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 6' ' ' SER . 87.8 t -55.04 -43.4 69.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -65.69 -30.32 70.99 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.593 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 88.2 m -79.58 -39.68 31.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 9' ' ' ARG . 82.8 t -61.88 -34.24 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.233 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -22.65 25.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.854 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.7 mmt -93.59 13.97 20.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.37 61.93 2.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.18 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.4 m-85 -145.03 166.85 24.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.763 0.315 . . . . 0.0 110.549 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -92.51 -2.87 55.9 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.677 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.34 -173.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.645 0.378 . . . . 0.0 110.836 179.664 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 159.93 33.26 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.604 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 13.0 pttp -144.18 176.85 9.02 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.833 0.825 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 m -129.09 126.8 40.16 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -103.66 -142.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.798 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -39.73 -46.67 1.93 Allowed 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.523 0.601 . . . . 0.0 111.656 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 32.69 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.277 179.106 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 23' ' ' ILE . 1.3 ptmt -142.94 122.46 13.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.257 0.551 . . . . 0.0 111.632 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 t -70.64 131.94 44.68 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -118.08 150.07 39.95 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.603 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 91.1 m -106.69 151.53 24.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.247 0.546 . . . . 0.0 111.764 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -94.61 60.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.742 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.56 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.66 0.266 . . . . 0.47 110.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.31 131.22 57.0 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.324 -0.398 . . . . 1.34 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -68.05 -27.04 66.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.2 110.994 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 m -73.29 -41.19 63.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -45.63 64.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.174 -0.676 . . . . 1.27 109.174 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.9 t -52.33 -52.02 55.52 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.262 -0.881 . . . . 1.09 110.065 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -55.48 -46.18 76.91 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.051 -0.977 . . . . 2.9 111.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 6' ' ' SER . 92.8 t -58.33 -40.58 78.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.289 . . . . 0.34 110.454 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -67.21 -29.31 68.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.009 -0.541 . . . . 2.51 110.418 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 82.0 m -80.02 -41.27 26.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.159 -0.473 . . . . 0.22 110.346 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.72 -36.61 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.808 0.337 . . . . 0.36 110.415 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.29 -27.54 42.23 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.922 -0.581 . . . . 0.32 111.545 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.4 mtt -92.95 13.73 19.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.648 -0.251 . . . . 1.93 111.444 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 64.78 1.79 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.95 -0.643 . . . . 0.24 113.447 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.4 m-85 -145.33 165.55 28.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.534 0.207 . . . . 1.24 110.518 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -2.32 56.68 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.765 0.654 . . . . 1.13 112.765 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 165.66 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.798 0.333 . . . . 0.65 111.179 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.04 157.46 29.72 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.04 -0.527 . . . . 0.33 112.258 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 20.1 pttt -146.17 -173.08 4.08 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.638 0.732 . . . . 2.88 111.277 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.32 127.99 30.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.905 -1.043 . . . . 0.58 111.047 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.87 -146.24 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.596 -0.729 . . . . 1.83 109.116 179.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.662 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.66 -44.82 1.57 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.505 0.593 . . . . 1.18 110.903 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.12 35.38 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.315 -0.857 . . . . 1.13 110.354 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -141.35 123.2 15.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.261 -0.427 . . . . 2.61 111.933 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -71.6 132.82 45.18 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.649 -0.705 . . . . 0.64 111.316 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -121.16 147.23 45.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 2.66 109.593 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 67.1 m -101.52 148.57 25.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.369 0.604 . . . . 0.49 111.661 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.2 m-30 -97.88 64.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.043 -0.981 . . . . 1.91 110.361 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 8.7 mtmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.108 -0.948 . . . . 3.38 111.572 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.576 0.227 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.55 142.11 39.47 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 72.5 m -75.03 -28.75 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.277 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.6 t -73.45 -41.41 63.24 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.93 67.22 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.5 t -51.21 -52.1 47.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttp180 -56.12 -46.79 79.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.962 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 6' ' ' SER . 85.6 t -56.47 -38.47 56.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.48 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -68.26 -31.29 70.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 61.5 m -82.29 -38.12 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.398 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.5 t -62.52 -33.72 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.781 0.324 . . . . 0.0 110.527 179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.41 -24.03 24.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.881 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 mtp -93.6 14.56 18.56 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.332 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.04 65.39 1.81 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 120.927 -0.654 . . . . 0.0 113.566 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.05 173.01 12.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -102.45 -4.0 26.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.16 174.79 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.946 0.403 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.27 142.99 7.36 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.864 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -150.99 -179.17 7.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 111.43 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.6 m -122.3 129.88 52.6 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.247 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.655 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER -94.9 -137.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.655 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.59 -49.13 2.16 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.058 0.844 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 36.52 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -142.75 118.99 10.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -71.32 131.79 43.95 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.925 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -121.15 151.2 40.18 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.298 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.5 m -108.45 144.06 36.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.998 0.427 . . . . 0.0 110.783 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -113.27 76.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.484 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 1.4 mtpt . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.852 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.32 144.29 39.27 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.103 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -73.2 -30.42 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.465 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.3 m -72.27 -40.47 67.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.523 0.201 . . . . 0.0 110.511 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -47.54 60.59 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 49.4 t -49.68 -52.51 30.54 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.961 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.3 ttt180 -54.46 -47.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.219 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 6' ' ' SER . 93.4 t -54.04 -43.86 60.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.616 0.246 . . . . 0.0 110.523 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -31.76 72.94 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 75.3 m -77.18 -37.92 52.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.601 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.5 t -62.26 -35.12 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.496 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.77 -22.33 25.99 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.789 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 mmt -93.66 14.45 19.03 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.634 0.254 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 64.63 2.1 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.219 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.619 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.08 171.05 15.04 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.619 0.247 . . . . 0.0 110.643 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -96.95 -1.67 45.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.623 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.51 -175.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.473 0.309 . . . . 0.0 111.041 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.08 157.34 29.52 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.573 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -148.35 -178.87 6.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.647 0.737 . . . . 0.0 110.987 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 m -130.16 127.3 39.45 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.819 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.798 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -97.26 -139.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.614 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.649 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.95 -46.26 2.02 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.779 0.718 . . . . 0.0 111.369 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 32.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.356 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.798 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -142.34 125.72 16.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.23 0.538 . . . . 0.0 111.723 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -71.91 133.11 45.22 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -121.38 147.63 45.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.562 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 68.3 m -104.22 150.22 24.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.25 0.548 . . . . 0.0 111.607 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.623 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.4 m-30 -94.59 60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.136 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.69 138.82 44.39 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -69.23 -30.52 68.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -72.46 -40.52 66.93 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -46.07 66.05 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.4 t -51.87 -52.21 51.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.972 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.6 ttp180 -55.15 -48.3 73.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.975 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' SER . 84.5 t -54.04 -43.18 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -66.39 -31.6 72.47 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.591 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.7 m -77.13 -36.87 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 9' ' ' ARG . 97.5 t -65.42 -32.11 56.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 110.546 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.92 -27.02 26.87 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.755 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mtp -93.78 14.06 20.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.27 68.67 1.5 Allowed Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.415 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.654 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.7 m-85 -145.08 166.91 24.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.533 0.206 . . . . 0.0 110.46 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -90.13 -2.19 58.05 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 158.59 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.95 0.5 . . . . 0.0 110.641 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.66 158.86 31.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.664 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 50.0 pttt -143.96 178.72 7.66 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.738 0.78 . . . . 0.0 111.071 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 m -130.47 127.46 39.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.198 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.28 -144.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.186 179.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.89 -46.34 1.99 Allowed 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.494 0.588 . . . . 0.0 111.133 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 35.7 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.511 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.47 116.65 10.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.447 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -70.91 131.28 43.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.464 0.65 . . . . 0.0 110.705 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.73 153.31 35.83 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.502 179.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.9 m -107.97 153.11 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.313 0.578 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.9 m-30 -94.7 61.37 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.683 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.256 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.551 0.215 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.24 138.25 46.86 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.835 0.35 . . . . 0.0 111.074 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 83.4 p -72.55 -29.12 63.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.293 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 10' ' ' VAL . 34.8 m -74.76 -39.79 61.59 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -44.53 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 48.6 t -53.48 -51.6 62.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.974 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.0 ttp85 -55.4 -48.21 74.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.166 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 6' ' ' SER . 72.8 t -56.42 -38.87 57.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -68.03 -31.21 70.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.636 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.2 m -82.18 -37.56 25.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.544 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 9' ' ' ARG . 90.6 t -63.28 -34.49 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.543 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.23 25.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.842 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmt -93.54 14.16 19.66 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.49 68.08 1.56 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.476 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 95.6 m-85 -145.18 175.38 10.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.626 0.25 . . . . 0.0 110.476 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 -1.43 27.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 174.0 172.63 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 111.249 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -169.26 139.03 5.4 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.361 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 5.0 mttt -153.95 -172.47 4.23 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.395 0.617 . . . . 0.0 110.823 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.08 130.76 51.74 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.307 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -94.66 -136.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.88 -48.56 2.33 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.056 0.844 . . . . 0.0 110.812 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 37.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.376 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -145.06 124.55 13.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.583 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.12 134.24 47.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.753 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 11.0 tttt -126.13 145.75 50.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.322 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.1 m -103.89 143.57 32.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 64.5 m-85 -116.19 75.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.277 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.456 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.372 0.129 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.94 138.8 42.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.685 0.278 . . . . 0.0 111.458 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 32.7 t -73.63 -29.55 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.716 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.15 -39.63 60.24 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -45.42 63.96 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.5 t -51.58 -52.68 45.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.927 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -56.26 -47.64 78.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.161 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 6' ' ' SER . 86.6 t -55.67 -39.71 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -65.62 -34.35 78.02 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 63.3 m -78.94 -39.34 34.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.524 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.9 t -61.57 -34.92 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.493 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.86 -23.06 25.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.855 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.2 mtp -93.6 14.46 18.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.33 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.46 65.53 1.84 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.407 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.5 m-85 -145.14 175.7 10.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 -1.22 25.85 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.4 176.0 0.09 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.031 0.443 . . . . 0.0 111.309 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -171.75 141.5 6.4 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.966 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -148.91 179.38 7.9 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.545 0.688 . . . . 0.0 111.275 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 129.63 52.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.95 -138.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.07 -48.12 2.41 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.95 0.795 . . . . 0.0 110.784 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.69 35.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -142.27 119.85 11.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.5 t -72.48 131.14 42.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.488 0.661 . . . . 0.0 110.826 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.6 148.62 43.11 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.241 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 55.3 m -106.98 143.26 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.228 0.537 . . . . 0.0 111.191 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.88 75.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.262 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.78 0.324 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -101.62 119.8 39.34 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.834 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -61.87 -24.47 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.6 m -76.56 -41.5 46.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -44.74 46.47 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -34.96 79.58 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 3.9 ttt180 -59.14 -44.63 92.07 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 6' ' ' SER . 67.4 t -59.33 -36.67 65.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.711 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -64.73 -33.12 75.22 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.486 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m -75.85 -45.03 37.91 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.13 -35.15 55.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.34 33.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.872 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 mtt -93.75 15.31 16.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.07 54.38 2.61 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.337 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 97.4 m-85 -145.15 174.77 10.78 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.39 -0.03 20.85 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.18 174.45 0.44 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 111.358 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -170.03 142.53 7.28 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.666 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.528 ' CG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -126.53 -179.22 4.67 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.85 0.834 . . . . 0.0 112.234 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 m -139.97 130.39 25.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -113.84 -149.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.56 -47.34 1.9 Allowed 'General case' 0 C--N 1.339 0.134 0 CA-C-O 121.172 0.511 . . . . 0.0 111.545 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -173.63 38.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.753 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -142.09 145.34 34.18 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 7.7 t -110.69 134.44 52.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -114.91 124.17 51.01 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.508 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 39.9 m -93.76 143.95 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HE2' ' CG ' ' A' ' 21' ' ' LYS . 67.8 m-85 -117.24 77.56 1.14 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.363 -1.289 . . . . 0.0 111.604 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -115.52 137.36 52.14 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -30.46 70.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 m -69.1 -42.22 76.42 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -46.64 67.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.9 t -52.2 -51.67 56.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.819 178.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.9 ttt85 -54.43 -48.07 72.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.156 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' SER . 91.3 t -55.74 -41.81 67.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -30.37 70.0 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 71.7 m -79.96 -37.32 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.0 t -63.6 -34.57 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.546 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.39 -23.57 26.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.879 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.4 mmm -93.63 13.94 20.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.564 0.221 . . . . 0.0 111.492 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.42 1.83 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.411 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.6 m-85 -145.07 169.35 18.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.464 0.173 . . . . 0.0 110.561 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -92.98 -2.4 55.81 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.87 -174.22 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.8 156.74 28.82 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.713 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.0 pttm -145.11 -176.89 5.27 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.567 0.699 . . . . 0.0 111.034 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 m -132.25 128.0 36.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.048 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.738 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -101.56 -141.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.729 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -39.94 -46.65 2.08 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.575 0.625 . . . . 0.0 111.582 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.04 32.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.13 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.738 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -143.51 124.33 14.24 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 111.716 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -68.98 133.95 48.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.33 142.27 50.67 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.531 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.1 m -99.45 151.74 20.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.269 0.557 . . . . 0.0 111.827 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -95.02 63.35 2.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.182 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.014 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.66 0.267 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.65 119.7 39.02 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.315 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -62.25 -24.71 67.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.7 m -80.13 -38.81 30.72 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 -43.24 64.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 29.6 t -51.81 -54.4 29.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.183 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.7 ttp180 -54.97 -43.85 73.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' SER . 86.2 t -57.63 -37.68 60.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.49 -31.91 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.603 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.4 m -81.07 -38.3 27.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.337 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 9' ' ' ARG . 83.7 t -62.82 -33.71 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.42 -22.6 24.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.836 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.7 mtp -93.47 14.36 18.92 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.524 0.202 . . . . 0.0 111.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.74 63.62 2.07 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.913 -0.661 . . . . 0.0 113.199 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -145.12 165.5 28.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -86.92 -4.12 59.15 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 161.66 -174.0 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.815 0.446 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.93 162.67 34.83 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.516 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 21.9 pttp -150.85 177.02 10.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.024 0.916 . . . . 0.0 111.948 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 m -104.23 126.64 51.5 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.35 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -44.5 1.98 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.069 0.461 . . . . 0.0 110.727 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 35.01 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.291 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' ILE . 45.9 mttm -144.46 166.88 23.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.777 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -93.17 123.87 36.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.713 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 tptp -106.53 148.95 27.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.9 m -110.06 149.77 29.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.213 0.53 . . . . 0.0 111.812 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.7 m-30 -94.26 61.28 2.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.511 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.47 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.73 143.07 36.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.14 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.16 -28.4 61.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 p -73.06 -42.15 63.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.9 0.381 . . . . 0.0 110.14 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.59 -45.44 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.182 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 41.4 t -52.41 -51.89 56.69 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.9 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -55.76 -48.3 75.51 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 6' ' ' SER . 96.6 t -56.09 -41.06 67.58 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 CA-C-O 120.686 0.279 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -66.95 -29.9 69.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.495 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 93.7 m -80.52 -41.67 23.81 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.18 -30.79 50.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.913 0.387 . . . . 0.0 110.148 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.75 -29.67 45.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 10.7 ptp -94.7 1.84 55.53 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.652 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 62.1 0.76 Allowed Glycine 0 C--N 1.339 0.701 0 C-N-CA 120.764 -0.732 . . . . 0.0 114.24 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 80.9 m-85 -145.56 168.11 21.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.845 0.323 . . . . 0.0 110.653 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -91.76 -2.36 56.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 164.52 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.727 0.298 . . . . 0.0 111.178 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 157.91 29.49 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -149.72 179.58 7.9 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.682 0.753 . . . . 0.0 111.11 179.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -127.18 128.16 45.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.66 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -95.89 -141.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.66 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.05 -46.87 2.21 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.745 0.702 . . . . 0.0 110.973 179.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.53 36.35 0.01 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.386 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -142.0 121.58 13.34 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.515 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.7 t -72.56 132.36 43.69 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.497 0.665 . . . . 0.0 110.931 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -120.64 157.08 30.32 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.753 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.531 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.3 m -109.27 149.68 29.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.123 0.487 . . . . 0.0 111.706 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.0 m-30 -94.54 60.64 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.272 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.523 0.201 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.16 131.55 56.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.265 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -65.91 -29.45 69.88 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.4 t -70.82 -42.6 70.04 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -47.71 68.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 51.1 t -50.97 -52.16 45.41 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.961 178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.1 ttt180 -55.44 -47.55 75.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 6' ' ' SER . 98.2 t -56.08 -42.46 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -30.56 70.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 74.0 m -79.5 -37.77 35.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' ARG . 91.4 t -62.56 -35.62 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.51 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.17 -22.63 26.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.929 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.5 mmt -93.76 14.03 20.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.466 0.174 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.13 65.29 1.97 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.488 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.628 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.0 170.02 16.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.592 0.234 . . . . 0.0 110.45 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -93.49 -3.31 53.18 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.531 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 162.29 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.778 0.431 . . . . 0.0 111.036 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.46 156.43 28.15 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.806 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.59 -173.91 4.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.962 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -132.9 128.22 36.08 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.666 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -100.67 -141.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.518 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.88 -47.43 2.16 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.523 0.601 . . . . 0.0 111.424 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.17 33.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.235 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.666 ' HG2' HG22 ' A' ' 23' ' ' ILE . 5.3 ptpt -144.63 123.21 12.48 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.128 0.49 . . . . 0.0 111.759 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -66.07 134.01 51.95 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.133 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD3' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -123.04 138.82 54.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.892 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 72.1 m -96.34 150.7 20.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.384 0.611 . . . . 0.0 111.841 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.7 m-30 -94.88 63.31 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.659 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.655 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.649 0.262 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.44 128.2 55.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.952 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -65.37 -26.96 68.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -74.41 -41.09 61.5 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.167 179.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -46.44 66.52 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 38.7 t -50.4 -53.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.994 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 19.7 ttt180 -53.59 -45.78 70.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' SER . 88.9 t -55.01 -43.88 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -32.4 74.1 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.3 m -76.36 -38.47 55.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' ARG . 87.4 t -62.07 -34.53 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 120.688 0.28 . . . . 0.0 110.471 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -22.46 25.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.757 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.53 13.8 20.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.639 0.257 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 64.05 2.12 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.154 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.0 m-85 -144.99 169.4 18.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.645 0.259 . . . . 0.0 110.626 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -95.36 -1.4 51.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.13 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.617 0.246 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.14 159.96 32.5 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 8.2 pttp -146.8 -178.68 6.31 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.789 0.804 . . . . 0.0 111.199 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.3 m -129.22 127.36 41.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.071 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.94 -143.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.563 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.82 -45.79 1.84 Allowed 'General case' 0 C--N 1.342 0.268 0 CA-C-N 118.597 0.635 . . . . 0.0 111.497 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -175.55 28.7 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.732 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -140.55 132.77 28.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.13 0.491 . . . . 0.0 111.7 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -73.83 133.85 43.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -120.45 147.96 44.43 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.298 . . . . 0.0 109.373 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 73.3 m -105.81 150.59 25.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.212 0.53 . . . . 0.0 111.838 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.38 62.32 2.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.811 0.338 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -121.57 118.98 30.6 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -60.94 -25.94 67.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.265 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -79.61 -38.7 33.29 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.272 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -44.67 62.68 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 42.6 t -50.98 -53.44 33.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.094 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 ttp180 -53.89 -48.3 70.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.801 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' SER . 84.7 t -57.78 -38.13 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -68.34 -31.1 70.27 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.723 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 84.0 m -82.34 -37.45 25.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.49 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.8 t -63.69 -33.99 65.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 120.708 0.289 . . . . 0.0 110.488 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -22.53 25.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.907 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mmm -93.91 14.02 20.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.609 0.242 . . . . 0.0 111.438 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 64.1 2.1 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.47 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -144.49 163.64 33.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' SER . 1.9 m -85.71 -2.24 58.0 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.559 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.64 -175.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.735 0.414 . . . . 0.0 110.804 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -164.2 160.54 33.53 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.285 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 60.1 pttt -151.65 -177.23 5.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.036 0.922 . . . . 0.0 112.194 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -104.77 126.64 52.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.13 -1.396 . . . . 0.0 110.724 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.82 -149.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.236 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.06 -45.18 2.61 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.07 0.462 . . . . 0.0 110.828 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.16 33.38 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.357 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -145.43 160.28 41.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.243 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.7 t -85.71 125.16 32.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.545 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -109.81 146.33 35.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.652 177.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 95.3 m -106.76 151.65 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 111.576 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -94.51 61.4 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.608 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.642 0.258 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -110.53 141.86 43.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 13.5 t -75.97 -30.05 58.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.11 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -74.68 -39.96 61.67 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -45.8 65.96 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 47.1 t -52.48 -51.76 57.77 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.114 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttp85 -55.9 -47.93 76.54 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.138 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' SER . 75.8 t -57.17 -38.02 59.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 110.544 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -68.52 -31.57 70.91 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.67 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.5 m -81.14 -38.76 26.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.2 t -62.44 -33.99 62.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.753 0.311 . . . . 0.0 110.478 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.09 -25.19 27.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.834 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.1 mtt -93.55 14.42 18.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.5 0.191 . . . . 0.0 111.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 67.33 1.65 Allowed Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.368 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.8 m-85 -145.08 170.88 15.33 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -101.98 -2.44 29.7 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.99 170.42 0.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.46 139.3 5.59 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 1.1 mttm -153.0 -174.29 4.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.433 0.635 . . . . 0.0 111.058 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.6 m -126.64 128.99 47.63 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.195 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.775 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.51 -134.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.498 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.647 ' N ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -39.95 -48.87 2.43 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 119.142 0.883 . . . . 0.0 110.992 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 35.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.771 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -144.07 126.96 16.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.515 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -72.32 133.75 45.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 4.0 tptt -124.85 144.53 50.25 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.6 m -103.44 143.6 32.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.709 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.585 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 66.5 m-85 -116.37 79.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.971 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.777 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.659 0.266 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.37 121.65 43.47 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.729 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -61.39 -26.23 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.237 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.8 m -74.19 -40.98 62.14 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.159 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -46.69 66.64 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.3 t -51.17 -52.56 42.99 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.129 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -54.63 -45.69 73.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.122 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 6' ' ' SER . 67.2 t -57.63 -38.52 64.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -69.31 -31.13 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.576 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 79.6 m -81.32 -37.01 29.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.378 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.1 t -63.27 -34.34 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.351 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.89 -23.3 25.26 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.71 14.26 19.71 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.577 0.227 . . . . 0.0 111.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.72 1.5 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.29 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 90.3 m-85 -145.15 168.63 19.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.586 0.231 . . . . 0.0 110.517 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -89.63 -2.23 58.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 159.13 -174.46 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.812 0.445 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.05 158.24 30.76 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.27 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -151.99 -167.79 2.88 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.485 0.66 . . . . 0.0 111.357 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.5 m -133.57 128.61 35.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.6 -144.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.97 -45.78 1.95 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.555 0.616 . . . . 0.0 110.939 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 35.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.298 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -144.55 124.91 13.83 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.605 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -64.31 135.57 56.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.153 179.492 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -125.96 147.03 49.62 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.851 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 66.9 m -102.66 150.11 23.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.218 0.532 . . . . 0.0 111.427 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.3 m-30 -94.92 64.48 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.132 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.03 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.456 0.169 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -107.78 142.06 38.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.7 p -74.67 -30.03 61.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -74.23 -39.75 62.87 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 110.372 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -46.34 63.56 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 53.4 t -50.96 -53.0 36.84 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.042 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.602 ' NH1' HG21 ' A' ' 13' ' ' VAL . 57.6 ttp85 -55.71 -48.0 75.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.178 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 6' ' ' SER . 90.0 t -56.44 -38.94 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.436 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.53 -30.48 69.29 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.506 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 70.5 m -81.64 -37.41 27.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG21 ' NH1' ' A' ' 9' ' ' ARG . 97.1 t -62.73 -34.83 67.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -22.73 25.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.698 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.5 mmt -93.57 13.86 20.65 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.618 0.247 . . . . 0.0 111.35 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 64.09 1.98 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.434 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.26 171.92 13.88 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.57 -6.92 26.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.64 177.31 0.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 111.553 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -172.26 142.45 6.86 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.063 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -150.89 -177.29 5.92 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.566 0.698 . . . . 0.0 111.031 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.7 m -123.2 128.91 50.69 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.17 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.98 -135.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.331 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.653 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.97 -48.14 2.34 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.011 0.823 . . . . 0.0 111.235 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -176.67 34.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.787 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.731 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -145.19 125.55 13.92 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 111.807 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -72.67 132.28 43.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.925 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -122.33 145.15 48.52 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.915 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 57.8 m -102.6 144.31 31.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 54.3 m-85 -114.53 76.38 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.17 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 22.7 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.56 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.579 0.228 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.62 135.86 53.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.03 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -29.58 67.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 t -73.59 -40.05 64.15 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.409 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.85 -45.07 65.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.4 t -52.07 -52.55 50.43 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.851 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.6 ttt180 -53.64 -48.11 69.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.049 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 6' ' ' SER . 84.9 t -55.1 -43.32 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.75 -30.55 71.22 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.4 m -78.63 -38.77 38.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ARG . 88.9 t -62.49 -33.4 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.892 0.377 . . . . 0.0 110.382 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.28 27.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.758 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 mtm -93.53 14.5 18.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.634 0.254 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.82 66.4 1.83 Allowed Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.423 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.629 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.3 m-85 -145.16 169.78 17.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.713 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -2.85 50.68 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.542 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 162.82 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.747 0.419 . . . . 0.0 110.923 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.4 159.87 32.84 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.694 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 26.0 pttt -147.31 -177.54 5.74 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.564 0.697 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 m -130.55 127.79 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.037 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.666 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -97.75 -143.89 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.666 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.94 -46.22 2.0 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.582 0.628 . . . . 0.0 111.017 179.534 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.61 35.95 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -142.31 120.78 12.44 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.487 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -67.22 132.49 47.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 148.0 44.29 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.579 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 77.3 m -105.71 150.93 25.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 111.713 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.39 61.19 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.433 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.519 0.199 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 3.1 m-85 -96.51 116.37 28.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.465 ' HB3' ' HD2' ' A' ' 21' ' ' LYS . 44.7 m -60.46 -23.83 64.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.525 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.5 t -78.54 -41.02 33.31 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.061 0.458 . . . . 0.0 109.808 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -44.48 44.12 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.028 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -65.53 -34.07 77.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.951 179.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 2.2 ttp180 -59.26 -44.87 92.39 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 6' ' ' SER . 61.0 t -59.69 -34.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -65.34 -33.0 74.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.54 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 98.1 m -76.82 -44.76 31.24 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 80.0 t -59.04 -33.69 50.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.679 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.01 -20.9 28.16 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.737 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmt -93.96 15.76 16.04 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.646 0.26 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 50.12 3.2 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.38 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 97.1 m-85 -144.99 176.54 9.41 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.654 0.227 . . . . 0.0 110.681 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -110.23 1.14 18.46 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.58 174.59 0.49 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.062 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.71 148.33 12.28 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.724 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HG2' ' HE2' ' A' ' 30' ' ' TYR . 4.5 mmmt -127.93 177.48 6.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.873 0.844 . . . . 0.0 112.443 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 7.8 m -138.23 128.96 26.67 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.346 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.565 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -111.91 -152.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.717 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.36 -45.2 1.42 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.008 0.433 . . . . 0.0 111.592 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -173.77 37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.981 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -140.7 149.69 42.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.309 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.1 t -115.68 134.12 55.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.756 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 6.5 tptm -111.19 144.22 40.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.91 178.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 52.7 m -111.07 143.76 41.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.073 0.463 . . . . 0.0 110.263 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HE2' ' HG2' ' A' ' 21' ' ' LYS . 69.4 m-85 -116.85 78.44 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.891 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.686 0.279 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.71 134.78 51.59 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -67.62 -29.01 68.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -73.22 -40.83 64.38 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.15 -45.73 66.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.8 t -51.85 -52.51 48.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.807 178.282 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.7 ttt85 -54.94 -48.23 73.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.081 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 6' ' ' SER . 87.8 t -55.04 -43.4 69.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -65.69 -30.32 70.99 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.593 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 88.2 m -79.58 -39.68 31.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 9' ' ' ARG . 82.8 t -61.88 -34.24 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.233 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -22.65 25.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.854 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.7 mmt -93.59 13.97 20.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.37 61.93 2.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.18 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.4 m-85 -145.03 166.85 24.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.763 0.315 . . . . 0.0 110.549 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -92.51 -2.87 55.9 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.677 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.34 -173.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.645 0.378 . . . . 0.0 110.836 179.664 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 159.93 33.26 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.604 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 13.0 pttp -144.18 176.85 9.02 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.833 0.825 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 m -129.09 126.8 40.16 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -103.66 -142.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.798 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -39.73 -46.67 1.93 Allowed 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.523 0.601 . . . . 0.0 111.656 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 32.69 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.277 179.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 23' ' ' ILE . 1.3 ptmt -142.94 122.46 13.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.257 0.551 . . . . 0.0 111.632 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 t -70.64 131.94 44.68 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -118.08 150.07 39.95 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.603 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 91.1 m -106.69 151.53 24.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.247 0.546 . . . . 0.0 111.764 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -94.61 60.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.742 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.56 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.727 0.299 . . . . 2.09 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.58 121.65 31.98 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 0.77 111.07 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.79 121.06 27.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.169 -0.469 . . . . 0.47 110.822 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.31 131.22 57.0 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.324 -0.398 . . . . 1.34 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 p -68.05 -27.04 66.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 1.2 110.994 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.3 m -73.29 -41.19 63.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.584 -0.28 . . . . 1.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -45.63 64.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.174 -0.676 . . . . 1.27 109.174 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.9 t -52.33 -52.02 55.52 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.262 -0.881 . . . . 1.09 110.065 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -55.48 -46.18 76.91 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.051 -0.977 . . . . 2.9 111.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 6' ' ' SER . 92.8 t -58.33 -40.58 78.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.707 0.289 . . . . 0.34 110.454 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -67.21 -29.31 68.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.009 -0.541 . . . . 2.51 110.418 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 82.0 m -80.02 -41.27 26.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.159 -0.473 . . . . 0.22 110.346 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.72 -36.61 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.808 0.337 . . . . 0.36 110.415 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.29 -27.54 42.23 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.922 -0.581 . . . . 0.32 111.545 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.4 mtt -92.95 13.73 19.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.648 -0.251 . . . . 1.93 111.444 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 64.78 1.79 Allowed Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.95 -0.643 . . . . 0.24 113.447 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.4 m-85 -145.33 165.55 28.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.534 0.207 . . . . 1.24 110.518 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.1 -2.32 56.68 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.765 0.654 . . . . 1.13 112.765 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 165.66 -173.95 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.798 0.333 . . . . 0.65 111.179 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.04 157.46 29.72 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.04 -0.527 . . . . 0.33 112.258 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 20.1 pttt -146.17 -173.08 4.08 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.638 0.732 . . . . 2.88 111.277 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 m -135.32 127.99 30.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.905 -1.043 . . . . 0.58 111.047 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.87 -146.24 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 115.596 -0.729 . . . . 1.83 109.116 179.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.662 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.66 -44.82 1.57 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.505 0.593 . . . . 1.18 110.903 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.12 35.38 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.315 -0.857 . . . . 1.13 110.354 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -141.35 123.2 15.34 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.261 -0.427 . . . . 2.61 111.933 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -71.6 132.82 45.18 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.649 -0.705 . . . . 0.64 111.316 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -121.16 147.23 45.87 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.509 -1.223 . . . . 2.66 109.593 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 67.1 m -101.52 148.57 25.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.369 0.604 . . . . 0.49 111.661 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.2 m-30 -97.88 64.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.043 -0.981 . . . . 1.91 110.361 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 8.7 mtmt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.108 -0.948 . . . . 3.38 111.572 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.76 0.314 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.89 127.34 35.64 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -122.17 120.5 34.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -108.55 142.11 39.47 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.973 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 72.5 m -75.03 -28.75 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.277 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 10' ' ' VAL . 47.6 t -73.45 -41.41 63.24 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.93 67.22 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.5 t -51.21 -52.1 47.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.291 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttp180 -56.12 -46.79 79.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.962 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 6' ' ' SER . 85.6 t -56.47 -38.47 56.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.48 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -68.26 -31.29 70.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 61.5 m -82.29 -38.12 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.398 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.5 t -62.52 -33.72 60.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.781 0.324 . . . . 0.0 110.527 179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.41 -24.03 24.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.881 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 mtp -93.6 14.56 18.56 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.516 0.198 . . . . 0.0 111.332 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.04 65.39 1.81 Allowed Glycine 0 C--N 1.337 0.608 0 C-N-CA 120.927 -0.654 . . . . 0.0 113.566 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.05 173.01 12.27 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.2 m -102.45 -4.0 26.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.16 174.79 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.946 0.403 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.27 142.99 7.36 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.864 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -150.99 -179.17 7.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.511 0.672 . . . . 0.0 111.43 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.6 m -122.3 129.88 52.6 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.247 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.655 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.9 OUTLIER -94.9 -137.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.655 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.59 -49.13 2.16 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.058 0.844 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 36.52 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -142.75 118.99 10.8 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.915 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -71.32 131.79 43.95 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.925 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -121.15 151.2 40.18 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.298 179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.5 m -108.45 144.06 36.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.998 0.427 . . . . 0.0 110.783 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -113.27 76.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.484 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 1.4 mtpt . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.852 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.03 165.99 3.84 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.918 0.39 . . . . 0.0 111.432 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.52 116.01 22.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.32 144.29 39.27 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.103 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -73.2 -30.42 63.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.465 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.3 m -72.27 -40.47 67.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.523 0.201 . . . . 0.0 110.511 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -47.54 60.59 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 49.4 t -49.68 -52.51 30.54 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.961 178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.3 ttt180 -54.46 -47.68 72.65 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.219 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 6' ' ' SER . 93.4 t -54.04 -43.86 60.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.616 0.246 . . . . 0.0 110.523 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -31.76 72.94 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 75.3 m -77.18 -37.92 52.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.601 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.5 t -62.26 -35.12 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.496 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.77 -22.33 25.99 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.789 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 mmt -93.66 14.45 19.03 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.634 0.254 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 64.63 2.1 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.219 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.619 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.9 m-85 -145.08 171.05 15.04 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.619 0.247 . . . . 0.0 110.643 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -96.95 -1.67 45.2 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.623 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.51 -175.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.473 0.309 . . . . 0.0 111.041 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.08 157.34 29.52 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.573 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -148.35 -178.87 6.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.647 0.737 . . . . 0.0 110.987 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 m -130.16 127.3 39.45 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.819 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.798 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -97.26 -139.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.614 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.649 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.95 -46.26 2.02 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.779 0.718 . . . . 0.0 111.369 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 32.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.356 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.798 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -142.34 125.72 16.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.23 0.538 . . . . 0.0 111.723 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -71.91 133.11 45.22 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -121.38 147.63 45.46 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.562 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 68.3 m -104.22 150.22 24.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.25 0.548 . . . . 0.0 111.607 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.623 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.4 m-30 -94.59 60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.402 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.136 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.714 0.292 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.52 118.43 12.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.63 118.61 25.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.962 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.69 138.82 44.39 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.146 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -69.23 -30.52 68.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.234 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -72.46 -40.52 66.93 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -46.07 66.05 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 52.4 t -51.87 -52.21 51.23 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.972 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.6 ttp180 -55.15 -48.3 73.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.975 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 6' ' ' SER . 84.5 t -54.04 -43.18 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -66.39 -31.6 72.47 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.591 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.7 m -77.13 -36.87 55.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 9' ' ' ARG . 97.5 t -65.42 -32.11 56.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.754 0.311 . . . . 0.0 110.546 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.92 -27.02 26.87 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.755 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 mtp -93.78 14.06 20.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.27 68.67 1.5 Allowed Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.415 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.654 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 95.7 m-85 -145.08 166.91 24.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.533 0.206 . . . . 0.0 110.46 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -90.13 -2.19 58.05 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 158.59 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.95 0.5 . . . . 0.0 110.641 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.66 158.86 31.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.664 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 50.0 pttt -143.96 178.72 7.66 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.738 0.78 . . . . 0.0 111.071 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.4 m -130.47 127.46 39.26 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.198 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.28 -144.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.186 179.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.89 -46.34 1.99 Allowed 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.494 0.588 . . . . 0.0 111.133 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 35.7 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.511 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.47 116.65 10.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.447 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -70.91 131.28 43.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 121.464 0.65 . . . . 0.0 110.705 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.73 153.31 35.83 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.502 179.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.9 m -107.97 153.11 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.313 0.578 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.9 m-30 -94.7 61.37 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.683 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.256 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.478 0.18 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.14 158.95 18.4 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 111.405 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.1 120.59 34.56 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.24 138.25 46.86 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.835 0.35 . . . . 0.0 111.074 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 83.4 p -72.55 -29.12 63.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.293 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 10' ' ' VAL . 34.8 m -74.76 -39.79 61.59 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -44.53 64.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 48.6 t -53.48 -51.6 62.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.974 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.0 ttp85 -55.4 -48.21 74.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.166 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 6' ' ' SER . 72.8 t -56.42 -38.87 57.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -68.03 -31.21 70.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.636 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.2 m -82.18 -37.56 25.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.544 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 9' ' ' ARG . 90.6 t -63.28 -34.49 67.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.543 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.23 25.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.842 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmt -93.54 14.16 19.66 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.44 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.49 68.08 1.56 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.476 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 31' ' ' LYS . 95.6 m-85 -145.18 175.38 10.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.626 0.25 . . . . 0.0 110.476 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.11 -1.43 27.34 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 174.0 172.63 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.14 0.495 . . . . 0.0 111.249 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -169.26 139.03 5.4 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.361 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 5.0 mttt -153.95 -172.47 4.23 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.395 0.617 . . . . 0.0 110.823 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.08 130.76 51.74 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.307 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 1.0 OUTLIER -94.66 -136.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.88 -48.56 2.33 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.056 0.844 . . . . 0.0 110.812 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.2 37.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.376 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -145.06 124.55 13.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.583 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.12 134.24 47.97 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.753 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 11.0 tttt -126.13 145.75 50.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.322 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.1 m -103.89 143.57 32.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.178 0.513 . . . . 0.0 110.719 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 64.5 m-85 -116.19 75.59 0.96 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.277 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.178 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.456 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.413 0.149 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.2 130.38 40.11 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 111.086 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -123.27 122.65 38.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.94 138.8 42.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.685 0.278 . . . . 0.0 111.458 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 32.7 t -73.63 -29.55 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.052 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.716 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.15 -39.63 60.24 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -45.42 63.96 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.5 t -51.58 -52.68 45.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.927 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -56.26 -47.64 78.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.161 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 6' ' ' SER . 86.6 t -55.67 -39.71 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -65.62 -34.35 78.02 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.497 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 63.3 m -78.94 -39.34 34.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.524 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.9 t -61.57 -34.92 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.493 179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.86 -23.06 25.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.855 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 83.2 mtp -93.6 14.46 18.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.33 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.46 65.53 1.84 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.407 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.5 m-85 -145.14 175.7 10.06 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 -1.22 25.85 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.4 176.0 0.09 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.031 0.443 . . . . 0.0 111.309 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -171.75 141.5 6.4 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.966 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -148.91 179.38 7.9 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.545 0.688 . . . . 0.0 111.275 179.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.4 m -122.47 129.63 52.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -94.95 -138.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.377 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.07 -48.12 2.41 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 118.95 0.795 . . . . 0.0 110.784 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.69 35.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -142.27 119.85 11.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.5 t -72.48 131.14 42.16 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.488 0.661 . . . . 0.0 110.826 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -119.6 148.62 43.11 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.241 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 55.3 m -106.98 143.26 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.228 0.537 . . . . 0.0 111.191 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.88 75.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.262 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.04 152.87 26.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.879 0.371 . . . . 0.0 111.557 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t -84.33 111.99 19.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.949 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -101.62 119.8 39.34 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.834 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -61.87 -24.47 66.94 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.6 m -76.56 -41.5 46.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -44.74 46.47 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -34.96 79.58 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.313 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 3.9 ttt180 -59.14 -44.63 92.07 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 6' ' ' SER . 67.4 t -59.33 -36.67 65.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.711 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -64.73 -33.12 75.22 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.486 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 97.8 m -75.85 -45.03 37.91 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.13 -35.15 55.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.34 33.73 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.872 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 mtt -93.75 15.31 16.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.07 54.38 2.61 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.337 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 97.4 m-85 -145.15 174.77 10.78 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.39 -0.03 20.85 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.18 174.45 0.44 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 111.358 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -170.03 142.53 7.28 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.666 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.528 ' CG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -126.53 -179.22 4.67 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.85 0.834 . . . . 0.0 112.234 -179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 m -139.97 130.39 25.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -113.84 -149.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.601 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.56 -47.34 1.9 Allowed 'General case' 0 C--N 1.339 0.134 0 CA-C-O 121.172 0.511 . . . . 0.0 111.545 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -173.63 38.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.753 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -142.09 145.34 34.18 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 7.7 t -110.69 134.44 52.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -114.91 124.17 51.01 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.508 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 39.9 m -93.76 143.95 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HE2' ' CG ' ' A' ' 21' ' ' LYS . 67.8 m-85 -117.24 77.56 1.14 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.363 -1.289 . . . . 0.0 111.604 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.684 0.278 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.39 122.36 28.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -104.82 124.3 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -115.52 137.36 52.14 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -30.46 70.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 m -69.1 -42.22 76.42 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.4 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -46.64 67.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 50.9 t -52.2 -51.67 56.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.819 178.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.9 ttt85 -54.43 -48.07 72.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.156 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' SER . 91.3 t -55.74 -41.81 67.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -30.37 70.0 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 71.7 m -79.96 -37.32 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.0 t -63.6 -34.57 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.546 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.39 -23.57 26.07 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.879 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.4 mmm -93.63 13.94 20.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.564 0.221 . . . . 0.0 111.492 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.68 66.42 1.83 Allowed Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.411 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.6 m-85 -145.07 169.35 18.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.464 0.173 . . . . 0.0 110.561 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -92.98 -2.4 55.81 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.87 -174.22 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 122.807 0.443 . . . . 0.0 110.721 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.8 156.74 28.82 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.713 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 17.0 pttm -145.11 -176.89 5.27 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.567 0.699 . . . . 0.0 111.034 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.6 m -132.25 128.0 36.93 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.048 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.738 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -101.56 -141.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.729 179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -39.94 -46.65 2.08 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.575 0.625 . . . . 0.0 111.582 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.04 32.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.13 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.738 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -143.51 124.33 14.24 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 111.716 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -68.98 133.95 48.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.33 142.27 50.67 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.531 179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.541 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.1 m -99.45 151.74 20.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.269 0.557 . . . . 0.0 111.827 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.554 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -95.02 63.35 2.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.182 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.014 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.692 0.282 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 146.03 51.43 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.23 133.91 34.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -112.65 119.7 39.02 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.315 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -62.25 -24.71 67.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.674 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.7 m -80.13 -38.81 30.72 Favored 'General case' 0 C--O 1.231 0.109 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 -43.24 64.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.526 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 29.6 t -51.81 -54.4 29.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.183 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.7 ttp180 -54.97 -43.85 73.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 6' ' ' SER . 86.2 t -57.63 -37.68 60.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.49 -31.91 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.603 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 76.4 m -81.07 -38.3 27.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.337 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 9' ' ' ARG . 83.7 t -62.82 -33.71 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.819 0.343 . . . . 0.0 110.546 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.42 -22.6 24.89 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.836 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 81.7 mtp -93.47 14.36 18.92 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.524 0.202 . . . . 0.0 111.313 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.74 63.62 2.07 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.913 -0.661 . . . . 0.0 113.199 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -145.12 165.5 28.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -86.92 -4.12 59.15 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 161.66 -174.0 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.815 0.446 . . . . 0.0 110.897 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.93 162.67 34.83 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.516 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 21.9 pttp -150.85 177.02 10.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.024 0.916 . . . . 0.0 111.948 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 m -104.23 126.64 51.5 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.35 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.38 -44.5 1.98 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.069 0.461 . . . . 0.0 110.727 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 35.01 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.291 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' O ' HG13 ' A' ' 23' ' ' ILE . 45.9 mttm -144.46 166.88 23.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.777 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -93.17 123.87 36.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.713 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 tptp -106.53 148.95 27.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 88.9 m -110.06 149.77 29.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.213 0.53 . . . . 0.0 111.812 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.7 m-30 -94.26 61.28 2.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.511 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.47 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.33 148.95 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.39 108.96 19.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 120.666 0.27 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.84 107.77 19.16 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.728 0.299 . . . . 0.0 110.933 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -87.53 115.53 25.02 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.996 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.73 143.07 36.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.14 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.16 -28.4 61.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.5 p -73.06 -42.15 63.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.9 0.381 . . . . 0.0 110.14 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.59 -45.44 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.182 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 41.4 t -52.41 -51.89 56.69 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.9 178.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -55.76 -48.3 75.51 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.191 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 6' ' ' SER . 96.6 t -56.09 -41.06 67.58 Favored 'Isoleucine or valine' 0 C--N 1.337 0.036 0 CA-C-O 120.686 0.279 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -66.95 -29.9 69.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.495 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 93.7 m -80.52 -41.67 23.81 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.18 -30.79 50.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.913 0.387 . . . . 0.0 110.148 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.75 -29.67 45.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.556 ' HG3' ' CD2' ' A' ' 17' ' ' PHE . 10.7 ptp -94.7 1.84 55.53 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.652 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 62.1 0.76 Allowed Glycine 0 C--N 1.339 0.701 0 C-N-CA 120.764 -0.732 . . . . 0.0 114.24 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 80.9 m-85 -145.56 168.11 21.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.845 0.323 . . . . 0.0 110.653 179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -91.76 -2.36 56.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.678 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 164.52 -174.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.727 0.298 . . . . 0.0 111.178 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 157.91 29.49 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -149.72 179.58 7.9 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.682 0.753 . . . . 0.0 111.11 179.27 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.0 m -127.18 128.16 45.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.66 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -95.89 -141.55 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.66 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -40.05 -46.87 2.21 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.745 0.702 . . . . 0.0 110.973 179.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.53 36.35 0.01 OUTLIER 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.386 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -142.0 121.58 13.34 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.515 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.7 t -72.56 132.36 43.69 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.497 0.665 . . . . 0.0 110.931 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HD2' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -120.64 157.08 30.32 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.753 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.531 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 97.3 m -109.27 149.68 29.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.123 0.487 . . . . 0.0 111.706 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 5.0 m-30 -94.54 60.64 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.379 -0.819 . . . . 0.0 111.272 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.779 0.323 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.24 121.09 31.95 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.84 128.76 36.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.16 131.55 56.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.265 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -65.91 -29.45 69.88 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.079 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 10' ' ' VAL . 26.4 t -70.82 -42.6 70.04 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -47.71 68.55 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 51.1 t -50.97 -52.16 45.41 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.961 178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.1 ttt180 -55.44 -47.55 75.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 6' ' ' SER . 98.2 t -56.08 -42.46 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -30.56 70.68 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 74.0 m -79.5 -37.77 35.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' ARG . 91.4 t -62.56 -35.62 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.8 0.333 . . . . 0.0 110.51 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.17 -22.63 26.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.929 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.5 mmt -93.76 14.03 20.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.466 0.174 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.13 65.29 1.97 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.488 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.628 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.0 170.02 16.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.592 0.234 . . . . 0.0 110.45 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -93.49 -3.31 53.18 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.531 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 162.29 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.778 0.431 . . . . 0.0 111.036 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.46 156.43 28.15 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.806 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.59 -173.91 4.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.962 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -132.9 128.22 36.08 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.666 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -100.67 -141.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.518 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.657 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -39.88 -47.43 2.16 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.523 0.601 . . . . 0.0 111.424 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.17 33.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.235 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.666 ' HG2' HG22 ' A' ' 23' ' ' ILE . 5.3 ptpt -144.63 123.21 12.48 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.128 0.49 . . . . 0.0 111.759 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -66.07 134.01 51.95 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.133 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD3' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -123.04 138.82 54.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.892 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 72.1 m -96.34 150.7 20.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.384 0.611 . . . . 0.0 111.841 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.531 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.7 m-30 -94.88 63.31 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.659 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.655 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.0 136.78 32.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -86.08 128.97 34.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.44 128.2 55.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.952 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -65.37 -26.96 68.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -74.41 -41.09 61.5 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.167 179.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -46.44 66.52 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 38.7 t -50.4 -53.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.994 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 19.7 ttt180 -53.59 -45.78 70.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 6' ' ' SER . 88.9 t -55.01 -43.88 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -32.4 74.1 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.3 m -76.36 -38.47 55.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' ARG . 87.4 t -62.07 -34.53 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 120.688 0.28 . . . . 0.0 110.471 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.05 -22.46 25.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.757 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.53 13.8 20.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.639 0.257 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 64.05 2.12 Favored Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.154 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.0 m-85 -144.99 169.4 18.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.645 0.259 . . . . 0.0 110.626 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -95.36 -1.4 51.24 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.656 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 163.13 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.617 0.246 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.14 159.96 32.5 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.439 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 8.2 pttp -146.8 -178.68 6.31 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.789 0.804 . . . . 0.0 111.199 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.3 m -129.22 127.36 41.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.071 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -100.94 -143.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.563 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.82 -45.79 1.84 Allowed 'General case' 0 C--N 1.342 0.268 0 CA-C-N 118.597 0.635 . . . . 0.0 111.497 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -175.55 28.7 0.0 OUTLIER 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.732 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -140.55 132.77 28.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.13 0.491 . . . . 0.0 111.7 -179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.4 t -73.83 133.85 43.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -120.45 147.96 44.43 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.298 . . . . 0.0 109.373 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 73.3 m -105.81 150.59 25.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.212 0.53 . . . . 0.0 111.838 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.38 62.32 2.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.095 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.321 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.33 148.95 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.39 108.96 19.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.8 115.05 28.64 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 21' ' ' LYS . 55.4 p -58.79 -22.39 58.22 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 m -79.88 -41.21 26.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.094 0.473 . . . . 0.0 109.792 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.96 -45.33 35.45 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.119 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -33.57 76.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.017 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 21.5 ttm180 -61.37 -44.72 96.68 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 6' ' ' SER . 85.0 t -57.01 -36.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -65.32 -33.65 76.48 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 54.5 m -74.89 -44.57 48.15 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 82.4 t -59.44 -34.05 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.57 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.46 -21.47 28.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.756 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -93.77 15.5 16.33 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.589 0.233 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.39 53.52 2.92 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.275 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 98.1 m-85 -145.14 165.98 26.73 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.659 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -89.4 -2.83 58.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.605 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.11 -174.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.899 0.48 . . . . 0.0 110.684 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ARG . . . -164.6 163.69 36.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.399 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 5' ' ' SER . 6.3 pttt -138.96 177.64 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.87 0.843 . . . . 0.0 111.697 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.0 m -137.88 130.2 29.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -111.49 -149.59 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.74 -45.63 1.76 Allowed 'General case' 0 C--N 1.34 0.154 0 CA-C-O 121.121 0.486 . . . . 0.0 111.675 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.05 37.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.999 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.49 152.81 45.91 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.002 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -115.04 136.72 52.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -123.38 144.52 49.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.279 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 84.2 m -100.8 151.96 21.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.224 0.535 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -95.34 64.33 2.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.316 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 mttp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.013 -179.777 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.76 86.22 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 111.093 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.0 t -89.87 138.39 31.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.416 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -121.57 118.98 30.6 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.381 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -60.94 -25.94 67.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.265 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -79.61 -38.7 33.29 Favored 'General case' 0 N--CA 1.461 0.122 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.272 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -44.67 62.68 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 42.6 t -50.98 -53.44 33.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.094 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 ttp180 -53.89 -48.3 70.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.801 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' SER . 84.7 t -57.78 -38.13 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -68.34 -31.1 70.27 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.723 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 84.0 m -82.34 -37.45 25.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.49 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.8 t -63.69 -33.99 65.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 120.708 0.289 . . . . 0.0 110.488 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -22.53 25.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.907 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mmm -93.91 14.02 20.86 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.609 0.242 . . . . 0.0 111.438 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 64.1 2.1 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.47 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.3 m-85 -144.49 163.64 33.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 19' ' ' SER . 1.9 m -85.71 -2.24 58.0 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.559 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 160.64 -175.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.735 0.414 . . . . 0.0 110.804 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -164.2 160.54 33.53 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.285 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 60.1 pttt -151.65 -177.23 5.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.036 0.922 . . . . 0.0 112.194 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.0 m -104.77 126.64 52.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.13 -1.396 . . . . 0.0 110.724 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.82 -149.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.236 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.06 -45.18 2.61 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.07 0.462 . . . . 0.0 110.828 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.16 33.38 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.357 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -145.43 160.28 41.81 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.243 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.7 t -85.71 125.16 32.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.545 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' HD11 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -109.81 146.33 35.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.652 177.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 95.3 m -106.76 151.65 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 111.576 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 3.8 m-30 -94.51 61.4 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.608 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.792 0.33 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.56 148.81 51.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.38 116.22 24.4 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.174 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -110.53 141.86 43.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 13.5 t -75.97 -30.05 58.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.11 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -74.68 -39.96 61.67 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.264 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -45.8 65.96 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 47.1 t -52.48 -51.76 57.77 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.114 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttp85 -55.9 -47.93 76.54 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.138 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 6' ' ' SER . 75.8 t -57.17 -38.02 59.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 110.544 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -68.52 -31.57 70.91 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.67 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 60.5 m -81.14 -38.76 26.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.353 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' ARG . 94.2 t -62.44 -33.99 62.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.753 0.311 . . . . 0.0 110.478 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.09 -25.19 27.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.834 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.1 mtt -93.55 14.42 18.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.5 0.191 . . . . 0.0 111.325 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.79 67.33 1.65 Allowed Glycine 0 C--N 1.338 0.679 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.368 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.8 m-85 -145.08 170.88 15.33 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -101.98 -2.44 29.7 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.99 170.42 0.71 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.46 139.3 5.59 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 1.1 mttm -153.0 -174.29 4.88 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.433 0.635 . . . . 0.0 111.058 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.6 m -126.64 128.99 47.63 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.195 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.775 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.51 -134.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.498 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.647 ' N ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -39.95 -48.87 2.43 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 119.142 0.883 . . . . 0.0 110.992 179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 35.2 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.771 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -144.07 126.96 16.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.515 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.1 t -72.32 133.75 45.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 4.0 tptt -124.85 144.53 50.25 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 56.6 m -103.44 143.6 32.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.709 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.585 ' HE2' ' HG3' ' A' ' 21' ' ' LYS . 66.5 m-85 -116.37 79.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.971 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.777 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.51 117.19 5.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.886 0.374 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 t -99.05 127.62 45.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.117 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -115.37 121.65 43.47 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.729 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -61.39 -26.23 67.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.237 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.8 m -74.19 -40.98 62.14 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.159 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -46.69 66.64 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.3 t -51.17 -52.56 42.99 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.129 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -54.63 -45.69 73.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.122 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 6' ' ' SER . 67.2 t -57.63 -38.52 64.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -69.31 -31.13 69.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.576 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 79.6 m -81.32 -37.01 29.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.378 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 9' ' ' ARG . 84.1 t -63.27 -34.34 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.351 179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.89 -23.3 25.26 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.3 mmt -93.71 14.26 19.71 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.577 0.227 . . . . 0.0 111.237 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.72 1.5 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.29 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 90.3 m-85 -145.15 168.63 19.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.586 0.231 . . . . 0.0 110.517 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -89.63 -2.23 58.25 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 159.13 -174.46 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.812 0.445 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.05 158.24 30.76 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.27 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -151.99 -167.79 2.88 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.485 0.66 . . . . 0.0 111.357 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.5 m -133.57 128.61 35.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -96.6 -144.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.659 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -39.97 -45.78 1.95 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.555 0.616 . . . . 0.0 110.939 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 35.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.298 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -144.55 124.91 13.83 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.605 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -64.31 135.57 56.33 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.153 179.492 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -125.96 147.03 49.62 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.851 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 66.9 m -102.66 150.11 23.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.218 0.532 . . . . 0.0 111.427 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.3 m-30 -94.92 64.48 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.132 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.03 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.29 113.47 24.73 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -92.81 119.43 32.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -107.78 142.06 38.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.7 p -74.67 -30.03 61.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.687 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -74.23 -39.75 62.87 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 110.372 179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -46.34 63.56 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 53.4 t -50.96 -53.0 36.84 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.042 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.602 ' NH1' HG21 ' A' ' 13' ' ' VAL . 57.6 ttp85 -55.71 -48.0 75.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.178 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 6' ' ' SER . 90.0 t -56.44 -38.94 58.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.436 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.53 -30.48 69.29 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.506 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 70.5 m -81.64 -37.41 27.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG21 ' NH1' ' A' ' 9' ' ' ARG . 97.1 t -62.73 -34.83 67.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.72 -22.73 25.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.698 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.5 mmt -93.57 13.86 20.65 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.618 0.247 . . . . 0.0 111.35 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 64.09 1.98 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.875 -0.679 . . . . 0.0 113.434 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 96.7 m-85 -145.26 171.92 13.88 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.57 -6.92 26.59 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.64 177.31 0.36 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.021 0.439 . . . . 0.0 111.553 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -172.26 142.45 6.86 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.063 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -150.89 -177.29 5.92 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.566 0.698 . . . . 0.0 111.031 179.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.7 m -123.2 128.91 50.69 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.17 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' HG2' ' A' ' 26' ' ' LYS . 1.1 tp -94.98 -135.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.331 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.653 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.97 -48.14 2.34 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.011 0.823 . . . . 0.0 111.235 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -176.67 34.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.787 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.731 ' HG2' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -145.19 125.55 13.92 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 111.807 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.2 t -72.67 132.28 43.49 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.925 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -122.33 145.15 48.52 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.915 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 57.8 m -102.6 144.31 31.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 54.3 m-85 -114.53 76.38 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.17 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 22.7 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.56 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.69 0.281 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.08 145.09 55.69 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t -104.8 124.12 48.87 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.251 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -114.62 135.86 53.68 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.03 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -29.58 67.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.2 t -73.59 -40.05 64.15 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.409 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.85 -45.07 65.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 44.4 t -52.07 -52.55 50.43 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.851 178.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.6 ttt180 -53.64 -48.11 69.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.049 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 6' ' ' SER . 84.9 t -55.1 -43.32 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -65.75 -30.55 71.22 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 72.4 m -78.63 -38.77 38.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.366 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' ARG . 88.9 t -62.49 -33.4 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.892 0.377 . . . . 0.0 110.382 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.27 -25.28 27.34 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.758 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 mtm -93.53 14.5 18.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.634 0.254 . . . . 0.0 111.262 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.82 66.4 1.83 Allowed Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.423 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.629 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 94.3 m-85 -145.16 169.78 17.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.713 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -2.85 50.68 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.542 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER 162.82 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 122.747 0.419 . . . . 0.0 110.923 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.4 159.87 32.84 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.694 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 26.0 pttt -147.31 -177.54 5.74 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.564 0.697 . . . . 0.0 110.992 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 m -130.55 127.79 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.037 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.666 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -97.75 -143.89 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.666 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -39.94 -46.22 2.0 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.582 0.628 . . . . 0.0 111.017 179.534 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.61 35.95 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -142.31 120.78 12.44 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.487 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -67.22 132.49 47.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 148.0 44.29 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.579 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 77.3 m -105.71 150.93 25.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 111.713 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.0 m-30 -94.39 61.19 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.433 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 117.38 13.7 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.319 . . . . 0.0 111.257 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 4.4 t -85.15 110.51 19.04 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 3.1 m-85 -96.51 116.37 28.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.465 ' HB3' ' HD2' ' A' ' 21' ' ' LYS . 44.7 m -60.46 -23.83 64.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.525 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.5 t -78.54 -41.02 33.31 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.061 0.458 . . . . 0.0 109.808 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -44.48 44.12 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.028 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -65.53 -34.07 77.41 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.951 179.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 2.2 ttp180 -59.26 -44.87 92.39 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 177.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 6' ' ' SER . 61.0 t -59.69 -34.97 57.11 Favored 'Isoleucine or valine' 0 C--N 1.339 0.13 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -65.34 -33.0 74.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.54 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 98.1 m -76.82 -44.76 31.24 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 80.0 t -59.04 -33.69 50.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.679 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.01 -20.9 28.16 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.737 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmt -93.96 15.76 16.04 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.646 0.26 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.72 50.12 3.2 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.38 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 31' ' ' LYS . 97.1 m-85 -144.99 176.54 9.41 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.654 0.227 . . . . 0.0 110.681 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -110.23 1.14 18.46 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.528 ' CB ' ' HB2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER 177.58 174.59 0.49 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.895 0.378 . . . . 0.0 111.062 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 28' ' ' LYS . . . -168.71 148.33 12.28 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.724 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HG2' ' HE2' ' A' ' 30' ' ' TYR . 4.5 mmmt -127.93 177.48 6.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.873 0.844 . . . . 0.0 112.443 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 7.8 m -138.23 128.96 26.67 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.346 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.565 HG23 ' N ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -111.91 -152.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.717 -179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.565 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -39.36 -45.2 1.42 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.008 0.433 . . . . 0.0 111.592 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -173.77 37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.981 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -140.7 149.69 42.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.309 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.1 t -115.68 134.12 55.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.756 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 6.5 tptm -111.19 144.22 40.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.91 178.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 52.7 m -111.07 143.76 41.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.073 0.463 . . . . 0.0 110.263 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HE2' ' HG2' ' A' ' 21' ' ' LYS . 69.4 m-85 -116.85 78.44 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.834 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.891 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.56 140.28 46.18 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.727 0.299 . . . . 0.0 111.267 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -111.49 123.83 51.03 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.996 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.71 134.78 51.59 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -67.62 -29.01 68.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -73.22 -40.83 64.38 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.15 -45.73 66.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 21' ' ' LYS . 43.8 t -51.85 -52.51 48.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.807 178.282 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.7 ttt85 -54.94 -48.23 73.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.081 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 6' ' ' SER . 87.8 t -55.04 -43.4 69.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -65.69 -30.32 70.99 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.593 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 17' ' ' PHE . 88.2 m -79.58 -39.68 31.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 9' ' ' ARG . 82.8 t -61.88 -34.24 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 120.833 0.349 . . . . 0.0 110.652 179.233 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.26 -22.65 25.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.854 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.7 mmt -93.59 13.97 20.35 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.37 61.93 2.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.18 179.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 97.4 m-85 -145.03 166.85 24.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.763 0.315 . . . . 0.0 110.549 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -92.51 -2.87 55.9 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.677 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER 163.34 -173.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.645 0.378 . . . . 0.0 110.836 179.664 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 159.93 33.26 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.604 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 13.0 pttp -144.18 176.85 9.02 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 121.833 0.825 . . . . 0.0 111.172 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.2 m -129.09 126.8 40.16 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.99 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -103.66 -142.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.798 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.664 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -39.73 -46.67 1.93 Allowed 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.523 0.601 . . . . 0.0 111.656 -179.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.62 32.69 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.277 179.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 23' ' ' ILE . 1.3 ptmt -142.94 122.46 13.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.257 0.551 . . . . 0.0 111.632 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 1.3 t -70.64 131.94 44.68 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -118.08 150.07 39.95 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.462 -1.244 . . . . 0.0 109.603 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 91.1 m -106.69 151.53 24.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.247 0.546 . . . . 0.0 111.764 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CD2' ' HB3' ' A' ' 19' ' ' SER . 4.6 m-30 -94.61 60.65 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.742 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.56 179.827 . . . . . . . . 2 2 . 1 stop_ save_