data_1lq7_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 1lq7 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' ARG . . . . . 0.468 ' HG2' ' CG1' ' A' ' 50' ' ' VAL . 2.5 mpt_? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.451 HG23 ' CG2' ' A' ' 41' ' ' ILE . 1.2 p -54.1 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -62.37 -59.71 4.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.35 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -85.62 -52.15 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.0 tt0 -36.59 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -68.19 -53.43 24.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . 4.5 tptm -59.17 -54.34 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.562 HG11 ' CH2' ' A' ' 34' ' ' TRP . 10.5 t -50.33 -57.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -35.94 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.56 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.8 mt -82.24 4.52 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -52.21 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.45 -37.2 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.413 1.071 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.9 mtpt -71.1 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 55.9 t -44.67 -40.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -38.34 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.05 -41.69 79.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 1.4 mt -48.74 123.22 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.92 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.563 1.164 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.5 ' HA2' HG12 ' A' ' 27' ' ' ILE . . . 60.83 -177.91 3.68 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.24 26.95 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.94 71.42 0.54 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.6 mtp180 177.46 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.267 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.2 pt -91.45 -35.86 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 tp10 -36.2 -58.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -47.21 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' CD1' HG12 ' A' ' 18' ' ' VAL . 4.0 pp -48.57 -39.5 23.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -60.4 -33.43 72.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -62.5 -59.23 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.48 -36.46 80.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CH2' HG11 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.3 -27.7 64.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.12 45.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.57 -14.48 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -84.53 -54.71 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -54.43 -33.81 60.18 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.584 1.177 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -69.44 -23.64 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.7 mttt -81.12 -42.47 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.514 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.7 mt -62.44 -17.13 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -54.43 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.75 -12.74 61.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 9.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' LYS . 36.6 t -56.54 -32.51 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.58 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.6 mtmt -71.7 -59.07 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.2 t -43.4 -67.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -39.84 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -31.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.4 tp10 -72.96 -41.8 64.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 37' ' ' LEU . 2.2 t -71.25 -18.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.68 -54.84 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -30.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' CB ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.74 -70.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.8 mm-40 -35.92 -54.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -57.94 -57.62 12.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 2.3 mt -47.13 -47.34 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.69 -31.55 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -83.98 -32.68 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD11 ' CD1' ' A' ' 21' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' LEU . 18.4 t -54.35 -65.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -59.31 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 -23.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.3 -56.76 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -37.43 -32.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.7 tt0 -54.38 -57.68 10.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.22 -54.48 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.644 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 14.5 t -44.7 -56.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.21 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD11 ' CG1' ' A' ' 57' ' ' VAL . 10.1 mt -61.64 -39.23 90.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -56.16 -44.97 79.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.6 -49.46 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.99 2.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.553 ' CG2' HD13 ' A' ' 30' ' ' LEU . 59.9 t -45.08 -41.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -41.21 67.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.07 67.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.542 ' CD1' HD13 ' A' ' 67' ' ' LEU . 3.1 mt -50.66 135.07 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -48.96 -23.29 3.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 54.38 166.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.69 50.07 0.28 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.73 -46.97 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 1.4 mmp_? -62.1 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.467 HD13 ' CA ' ' A' ' 23' ' ' GLY . 2.9 pt -48.58 -26.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.0 tm-20 -43.46 -24.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.18 -51.45 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 1.069 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.98 -52.13 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mtpt -71.9 -61.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -58.95 -40.54 85.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.644 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.39 -27.35 65.91 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -34.95 46.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.25 -18.0 35.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -81.44 -54.47 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.5 ttmm -53.07 -33.23 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -66.45 -24.72 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 5.1 mttt -81.29 -42.37 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.5 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.7 mt -63.4 -18.79 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -54.49 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -7.29 54.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.5 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LYS . 22.4 t -58.59 -33.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' VAL . 5.5 mptt -72.04 -59.02 2.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.4 t -43.91 -68.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.65 -69.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.19 -30.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.4 tp10 -76.39 -47.87 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.6 t -64.69 -27.42 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -55.04 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -44.55 -30.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' CD2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -73.52 -71.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -36.16 -53.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -52.44 -54.98 25.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.547 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 4.0 mt -47.2 -56.21 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -49.87 -23.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -96.06 -29.75 13.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.409 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 41' ' ' ILE . 44.6 t -94.48 -57.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -60.42 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.76 -21.78 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -86.25 -54.14 4.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.9 tt0 -35.73 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.23 -55.57 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -71.49 -47.33 56.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.632 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 4.7 t -52.86 -64.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 2.5 tttp -39.87 -52.22 2.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.97 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.229 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD12 ' CG1' ' A' ' 57' ' ' VAL . 3.8 mt -51.93 -32.36 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 11.0 tt0 -65.53 -61.51 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -59.16 -36.35 75.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.39 -66.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.547 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 54.4 t -44.1 -26.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 17' ' ' LYS . 3.5 tttt -84.49 -43.29 14.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.21 -34.65 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD11 ' CG2' ' A' ' 27' ' ' ILE . 3.2 mt -54.02 135.54 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.27 -21.83 9.18 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 57.01 165.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.46 43.37 0.23 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 -45.09 1.19 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -63.35 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.49 HD13 ' CA ' ' A' ' 23' ' ' GLY . 5.0 pt -51.64 -21.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 2.3 tp10 -52.27 -17.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.79 -35.73 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -62.08 -61.56 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 mtpt -44.01 -31.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mttt -65.95 -69.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 5.0 mttp -54.92 -36.08 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.632 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -63.0 -32.53 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -34.33 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.99 -16.5 38.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD12 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.17 -54.64 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -51.32 -31.29 21.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -69.35 -24.2 63.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 24.7 mttm -81.37 -44.7 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 4.4 mt -62.9 -17.82 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 109.377 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -53.81 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -6.23 48.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.49 ' CD2' ' CG2' ' A' ' 50' ' ' VAL . 5.6 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 35.6 t -46.61 -33.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' VAL . 14.0 mttm -37.88 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.29 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.2 t -41.31 -68.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.9 mm-40 -41.75 -59.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -29.35 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.2 tp10 -76.7 -46.98 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.506 ' CG2' HD12 ' A' ' 37' ' ' LEU . 24.4 t -69.46 -19.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.42 -53.23 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -42.37 -34.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -68.85 -72.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.362 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -35.49 -54.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.19 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -55.98 -57.94 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.547 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 1.5 mt -49.04 -37.27 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmpt? -66.1 -32.95 74.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.44 -32.35 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 64' ' ' ILE . 3.4 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.91 -53.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -48.94 -64.1 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.78 -19.12 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -81.62 -65.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -36.49 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -53.48 -59.11 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -55.27 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.227 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.603 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 66.4 t -45.07 -49.58 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -52.85 -49.98 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.75 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 18' ' ' VAL . 10.4 mt -53.87 -47.36 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -50.62 -45.43 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -74.08 -57.52 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -50.97 -60.54 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 30' ' ' LEU . 76.4 t -44.41 -35.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -78.26 -41.19 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.79 -28.69 57.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.7 mt -62.16 133.12 54.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.27 -25.45 1.92 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' HD11 ' A' ' 27' ' ' ILE . . . 53.74 170.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.21 51.17 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.19 60.08 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -102.76 -77.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 0.748 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.518 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -47.94 -37.93 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' ILE . 6.5 tt0 -31.45 -63.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -44.43 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -50.43 -39.5 47.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.87 -29.55 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.11 -52.47 48.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' LEU . 9.3 mttm -69.3 -35.32 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.603 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -56.61 -25.4 52.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -38.06 35.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.07 -23.77 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.32 -58.2 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.2 ttmm -51.82 -31.06 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -71.29 -28.84 64.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.84 -45.25 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 5.3 mt -61.49 -17.31 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -53.94 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -7.59 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.509 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 6.3 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' LYS . 38.4 t -47.2 -33.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.29 -32.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.0 -59.12 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.2 t -41.48 -64.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mm-40 -41.6 -64.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -29.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.7 tp10 -77.64 -46.71 21.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.4 t -67.67 -23.3 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -54.24 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.09 -35.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -72.07 -74.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -35.56 -41.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -68.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -52.56 -50.81 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' CD1' HG23 ' A' ' 18' ' ' VAL . 2.3 mt -52.34 -39.26 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -22.72 65.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.237 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -93.28 -31.64 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 ' CD1' ' A' ' 21' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' LEU . 85.0 t -83.15 -62.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.96 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.4 -27.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -81.74 -57.25 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -36.81 -33.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -54.15 -56.59 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -52.09 28.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.633 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 19.7 t -47.49 -56.03 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -49.61 -46.09 48.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.14 93.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.4 mt -58.72 -50.8 72.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.589 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 32.1 tt0 -47.93 -51.84 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.07 -55.12 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.86 -61.4 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' A' ' 64' ' ' ILE . 50.8 t -44.23 -34.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -77.88 -41.17 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.209 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -56.28 -25.73 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.9 mt -65.24 131.95 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.12 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' CA ' HD11 ' A' ' 27' ' ' ILE . . . 56.01 -174.18 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.92 -30.77 5.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.14 43.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -69.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.1 pt -48.25 -32.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.9 tt0 -35.32 -61.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -46.35 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CD1' HG12 ' A' ' 18' ' ' VAL . 3.2 pp -47.18 -40.74 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 4.4 mtpt -58.37 -38.67 77.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.1 mtpt -58.07 -57.15 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 17.7 mttt -63.99 -37.54 87.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.633 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.96 -29.35 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.168 . . . . 0.0 107.987 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.61 -35.8 45.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.43 -14.69 48.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.5 -53.41 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -55.38 -34.03 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -23.62 65.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 6.4 mptt -82.3 -43.43 17.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 2.2 mt -61.44 -19.0 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.52 -53.42 7.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.53 -5.06 48.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.2 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.8 t -57.65 -33.54 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -37.95 -31.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' VAL . 6.4 mmtt -74.39 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.6 t -41.39 -71.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -38.13 -70.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -42.86 -32.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 tp10 -73.62 -44.46 56.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.483 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.3 t -68.27 -25.08 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -54.38 22.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -42.76 -33.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -73.2 -72.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.53 -51.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -69.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -51.12 -49.58 60.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.521 ' CD1' HG23 ' A' ' 18' ' ' VAL . 2.6 mt -56.65 -37.9 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -20.82 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -30.55 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 21' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.4 -51.75 65.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.79 -54.92 31.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.35 -16.68 48.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -86.28 -60.08 2.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 22.1 tt0 -37.81 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -57.03 -56.12 25.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -52.72 26.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.61 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 47.6 t -48.93 -47.91 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -56.92 -47.26 81.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 7.0 mt -65.85 -62.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 3.3 tt0 -35.01 -41.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.237 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.25 -56.72 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.43 -51.69 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.601 1.188 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . 30.6 t -50.25 -39.16 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -24.84 61.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -76.64 -2.67 33.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 10.7 mt -87.74 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' GLY . . . -69.38 59.22 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . -35.38 152.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.71 40.34 0.46 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.08 42.55 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 -84.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.532 HD13 ' CA ' ' A' ' 23' ' ' GLY . 3.0 pt -48.22 -25.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 1.5 tt0 -43.86 -20.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -104.77 -59.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.564 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -52.38 -50.89 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -50.21 -22.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -76.6 -67.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -51.18 -41.51 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.347 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.61 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.83 -29.91 65.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LYS . 2.0 mm-40 -78.54 -34.57 47.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.89 -15.52 44.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -83.72 -53.72 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.73 -33.15 46.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -25.08 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 18.9 mttt -80.24 -43.31 21.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 11' ' ' VAL . 1.6 mt -62.63 -16.75 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.401 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.84 -55.25 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.51 -14.54 62.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' CG2' ' A' ' 50' ' ' VAL . 9.1 mt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.482 ' CG2' HD23 ' A' ' 44' ' ' LEU . 36.3 t -58.35 -32.53 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -37.84 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.09 -59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.4 t -41.92 -70.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' HG13 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.62 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.94 -33.8 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tp10 -72.01 -44.73 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.2 t -68.14 -22.93 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -56.11 12.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -46.79 -25.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -78.76 -72.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -36.61 -47.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -64.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -55.0 -47.43 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD11 ' CD2' ' A' ' 60' ' ' LEU . 7.7 mt -60.68 -37.84 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.9 mtpt -70.28 -19.0 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -27.66 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.77 -41.12 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -58.19 -58.72 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.0 -15.23 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -86.44 -59.4 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.4 tt0 -37.98 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' LEU . 11.8 mt-10 -55.37 -61.77 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -64.62 -46.92 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.632 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 50.5 t -54.33 -67.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -39.02 -47.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -48.17 81.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.1 mt -48.97 -40.48 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.0 tt0 -57.26 -52.92 63.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.0 -46.51 74.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -60.22 -61.15 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 69.5 t -45.06 -39.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -75.04 -39.53 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.3 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.591 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -47.71 151.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.94 -25.84 64.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' CA ' ' CD1' ' A' ' 27' ' ' ILE . . . 59.11 154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.13 51.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.14 -30.21 8.86 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.7 mpt_? -72.55 -84.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.591 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 2.2 pt -49.03 -24.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.4 tt0 -46.83 -22.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 110.373 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.35 -46.76 5.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -54.35 -56.63 16.63 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -45.21 -28.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 8.8 mtpt -70.95 -70.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.45 -38.12 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.632 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -60.49 -29.26 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -78.21 -34.75 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.94 -16.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.72 -57.67 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 5.0 ttmm -50.26 -31.37 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.74 -28.48 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.36 -51.43 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 37' ' ' LEU . 2.8 mt -59.77 -18.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.09 -55.15 5.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -7.21 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.5 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' LYS . 44.6 t -77.01 -31.52 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' VAL . 17.4 mttt -36.76 -32.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' VAL . 8.5 mttt -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -42.14 -64.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' HG11 ' A' ' 53' ' ' VAL . 2.3 mt-10 -44.82 -51.04 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 19.4 tt0 -78.27 -41.65 33.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 37' ' ' LEU . 36.0 t -68.89 -26.57 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -61.74 -52.87 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -41.92 -40.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -62.78 -71.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.3 mt-10 -37.85 -58.21 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -67.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -51.88 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.497 ' CD1' HG23 ' A' ' 18' ' ' VAL . 5.2 mt -53.93 -38.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 61' ' ' GLU . 26.6 ttmt -66.24 -23.67 66.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -28.13 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 30' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.1 -44.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.19 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.22 -21.34 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 9' ' ' GLU . 1.7 mm? -85.84 -58.38 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -36.63 -32.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.1 tt0 -54.43 -61.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.656 1.223 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -52.9 22.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.633 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 62.1 t -46.64 -55.4 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -47.38 -51.81 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.93 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 57' ' ' VAL . 8.7 mt -51.67 -48.26 63.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.584 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -49.29 -41.12 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -80.53 -55.66 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -51.95 -56.63 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' A' ' 64' ' ' ILE . 54.8 t -47.79 -33.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -74.35 -36.4 63.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.3 -14.99 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' CG2' ' A' ' 27' ' ' ILE . 10.3 mt -75.07 122.06 22.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.78 -31.65 1.19 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 68.22 159.56 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 55.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -35.64 4.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.744 . . . . 0.0 110.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.7 pt -48.63 -31.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.5 tt0 -39.48 -27.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.72 -53.82 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.228 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.616 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -52.96 -52.07 59.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -49.03 -25.8 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.3 mtpp -75.62 -67.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.5 ptpp? -50.08 -40.31 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.633 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.1 -31.02 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -78.73 -32.84 46.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 -16.67 39.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -84.88 -55.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -54.08 -30.81 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -80.81 -43.21 20.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 2.3 mt -60.3 -21.06 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.43 -54.69 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.12 -6.44 54.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.1 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LYS . 25.9 t -56.74 -33.78 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' VAL . 9.8 mttm -37.74 -31.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.4 mmtt -75.3 -59.27 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.8 t -41.52 -70.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.99 -70.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.93 -31.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 tp10 -74.09 -45.76 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.483 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.4 t -66.74 -24.45 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' LEU . 3.5 tptt -67.41 -55.38 13.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -44.93 -25.95 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' CD2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -77.72 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -37.67 -53.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.02 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tt0 -55.98 -54.01 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.501 ' CD1' HG21 ' A' ' 18' ' ' VAL . 4.8 mt -51.81 -38.93 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' GLU . 10.6 mmtp -67.08 -26.13 66.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -31.19 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 21' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 3.0 mpt_? . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.42 -49.54 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -55.08 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.75 57.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -86.41 -65.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.377 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -36.44 -34.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.24 -51.87 60.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.27 -54.37 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.629 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 57.0 t -46.45 -51.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 3.1 tptt -49.07 -54.0 17.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.26 94.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD11 ' CG1' ' A' ' 57' ' ' VAL . 4.8 mt -48.52 -36.87 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.6 tm-20 -65.28 -46.96 78.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -29.5 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 3.0 tttt -79.83 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 53.2 t -45.87 -34.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -77.87 -41.17 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.59 65.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.7 mt -55.08 133.42 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.49 -32.09 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.595 1.185 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 56.59 178.03 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.78 37.34 3.71 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 63.38 0.21 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.11 -79.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.499 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.7 pt -47.27 -33.61 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 13.3 tt0 -34.91 -61.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.3 -73.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -45.41 -40.95 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.7 mttm -58.01 -37.75 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.2 mttt -61.22 -49.73 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.3 mttp -69.99 -42.69 72.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.629 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -52.7 -27.43 17.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.35 -41.24 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -15.37 57.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CD1' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -83.98 -57.13 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.3 ttmm -52.39 -31.54 34.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -62.69 -37.26 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.3 mttp -70.51 -48.6 54.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.526 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 11.6 mt -55.95 -22.56 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.61 -53.57 11.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -10.54 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 6.2 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 52' ' ' LYS . 44.3 t -76.83 -32.78 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 10.3 tttt -37.56 -31.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -72.92 -58.84 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.7 t -43.18 -67.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.3 mm-40 -39.91 -67.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -31.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.4 tp10 -74.94 -47.84 27.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' CD1' ' A' ' 37' ' ' LEU . 2.9 t -66.37 -25.56 35.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.54 -55.04 15.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -76.71 -71.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.4 mm-40 -35.45 -50.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.01 -69.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -50.98 -52.13 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -51.39 -39.21 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.72 -25.58 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -38.02 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 21' ' ' LEU . 9.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.1 t -55.53 -47.49 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.38 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.53 -21.55 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -77.78 -66.7 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 10.3 tt0 -36.11 -33.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -51.38 -59.38 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -56.09 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.619 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 66.3 t -43.5 -57.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.7 tppt? -44.2 -51.46 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.22 86.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.7 mt -50.1 -34.18 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 29.3 tt0 -67.42 -56.23 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.65 -25.29 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.0 mtmt -83.26 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 64' ' ' ILE . 55.8 t -42.08 -35.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.49 -45.32 39.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.19 -43.18 74.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' CG2' ' A' ' 27' ' ' ILE . 5.0 mt -44.52 125.23 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.63 -30.23 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' HA3' ' CD1' ' A' ' 27' ' ' ILE . . . 56.42 -170.59 2.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.94 34.99 7.91 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.32 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' CD ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.3 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.554 ' CG2' HD13 ' A' ' 21' ' ' LEU . 5.4 pt -48.67 -24.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 3.4 tp10 -48.47 -23.21 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -42.9 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CD2' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.28 -54.68 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -26.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 12.0 mtpt -69.57 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -54.23 -35.47 62.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.619 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -63.93 -26.08 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -78.18 -31.96 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.99 -29.34 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.89 -58.63 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.9 ttmm -50.67 -29.5 11.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.2 -33.91 70.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 3.1 mtmt -72.02 -47.26 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.513 HG12 ' CG1' ' A' ' 53' ' ' VAL . 4.7 mt -59.85 -16.06 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -54.06 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -12.09 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 7.8 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' LYS . 42.8 t -45.63 -33.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -37.78 -31.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.06 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.513 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.1 t -40.52 -64.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -42.22 -64.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -28.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.8 tp10 -77.06 -43.99 32.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.3 t -69.84 -24.4 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -52.93 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -42.96 -34.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -70.33 -73.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm-40 -35.12 -50.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.75 -68.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -50.45 65.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.382 1.052 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.494 ' CD1' HG21 ' A' ' 18' ' ' VAL . 1.5 mt -55.64 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 7.6 mttt -70.94 -17.8 62.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.36 60.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 21' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.9 t -54.7 -52.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.98 -20.3 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -86.26 -54.32 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' LEU . 25.0 tt0 -35.9 -34.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -55.34 -53.39 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tptt -66.73 -59.28 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.617 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 13.5 t -45.63 -66.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -39.98 -51.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.13 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 57' ' ' VAL . 6.9 mt -55.95 -34.37 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.77 -65.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.6 tp10 -56.2 -41.48 75.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.15 -67.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG2' HD11 ' A' ' 64' ' ' ILE . 43.7 t -44.73 -38.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -72.85 -40.56 65.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -56.46 -47.88 78.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.527 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -39.61 137.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.96 -22.63 12.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' CA ' HD11 ' A' ' 27' ' ' ILE . . . 47.35 -170.97 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.27 34.87 4.64 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.68 51.14 0.26 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -163.95 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -47.65 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.3 tt0 -37.07 -60.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.302 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.52 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -45.59 -41.52 10.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -56.6 -36.64 69.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -62.58 -45.46 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -73.61 -37.16 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.617 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.11 -25.15 63.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -34.74 44.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -33.13 22.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.65 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.65 -59.86 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -50.35 -31.94 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.84 -29.23 66.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.1 tptt -74.84 -44.36 49.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 37' ' ' LEU . 2.7 mt -59.1 -16.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -55.26 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 7.2 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' CG2' HD21 ' A' ' 44' ' ' LEU . 21.0 t -52.71 -34.71 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.74 -31.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 2.8 mmtt -74.43 -58.81 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.4 t -41.3 -70.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 57' ' ' VAL . 2.5 mt-10 -38.8 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -32.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.8 tp10 -74.16 -46.91 39.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.6 t -66.19 -24.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.36 -54.85 16.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.193 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -41.9 -31.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.58 -70.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.1 mm-40 -34.14 -64.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.09 -68.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 tp10 -50.56 -56.64 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.518 HD11 ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -47.8 -43.84 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.75 -30.12 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -86.56 -32.48 20.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 21' ' ' LEU . 27.8 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 1.2 p -54.59 -30.78 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -68.51 -57.02 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.92 -11.72 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -85.75 -55.67 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LEU . 3.6 tt0 -37.58 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -58.99 -51.77 68.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.076 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.6 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.627 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 42.9 t -42.04 -60.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 7.1 tptt -45.18 -52.86 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.72 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 18' ' ' VAL . 10.3 mt -55.67 -36.69 67.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -58.12 -44.44 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 13.5 tt0 -74.62 -41.68 59.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 mmtt -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 64' ' ' ILE . 55.0 t -44.89 -38.29 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -79.05 -35.06 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.38 -16.92 57.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.56 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.0 mt -73.3 137.87 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -45.12 -26.28 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' CA ' HD12 ' A' ' 27' ' ' ILE . . . 48.41 -178.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.62 -33.17 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.88 54.23 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.2 -73.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.56 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.1 pt -47.74 -32.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ILE . 3.8 tt0 -34.41 -58.04 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -53.64 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.5 HD11 ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -45.86 -40.01 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.7 mtmt -58.78 -37.55 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.9 mttt -59.87 -51.87 67.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.3 -43.17 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.627 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -51.24 -25.23 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 107.945 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -37.15 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.11 -23.7 28.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.65 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.8 -59.51 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -50.94 -30.68 15.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -70.78 -26.56 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.01 -45.1 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG12 ' CG1' ' A' ' 53' ' ' VAL . 5.9 mt -62.14 -16.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.57 -53.24 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -10.39 59.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 6.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 3' ' ' ARG . 41.0 t -57.6 -32.97 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.6 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.58 -58.42 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.499 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.0 t -41.35 -65.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' HG13 ' A' ' 53' ' ' VAL . 1.3 mt-10 -44.39 -66.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -29.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.7 tp10 -76.08 -49.26 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 37' ' ' LEU . 4.5 t -64.78 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -66.07 -54.85 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -42.53 -35.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.54 -72.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -36.18 -56.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -64.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -56.75 -57.73 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.541 ' CD1' HG21 ' A' ' 18' ' ' VAL . 3.7 mt -45.45 -58.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -25.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -92.36 -40.33 10.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 21' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 5.2 ttp-105 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.4 t -92.82 -66.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 7' ' ' LEU . 1.7 mtmt -49.37 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.98 -28.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -80.55 -56.22 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.627 1.204 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' LEU . 27.1 tt0 -36.69 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.0 mt-10 -53.79 -57.14 11.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -51.76 23.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.613 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 66.6 t -47.94 -53.79 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.08 -47.65 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.34 97.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' VAL . 9.6 mt -53.29 -43.23 67.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 28.4 tt0 -56.51 -44.43 80.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.9 mt-10 -75.0 -47.93 26.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.1 -60.8 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 74.5 t -44.89 -43.24 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -36.79 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -58.61 -30.58 67.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.558 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.1 mt -59.69 141.5 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.406 1.067 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.55 -27.0 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 50.35 -171.64 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 37.86 4.41 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.62 54.25 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.08 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.558 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.6 pt -47.74 -34.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.3 tt0 -34.55 -61.87 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -45.55 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 3.7 pp -48.77 -41.15 31.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 2.3 mtpt -57.88 -30.86 66.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mtpt -66.09 -54.77 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' LEU . 14.8 mttt -67.41 -35.71 79.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.613 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -57.24 -26.65 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 107.965 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -36.33 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.78 -23.37 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.16 -57.66 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -52.34 -31.82 35.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mttt -81.19 -42.69 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 HG12 ' CG2' ' A' ' 53' ' ' VAL . 3.8 mt -64.88 -16.97 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -54.0 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.68 -6.18 49.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.4 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' LYS . 27.4 t -58.34 -33.87 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 41.9 mttt -37.95 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mttp -75.58 -57.91 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.495 ' CG2' HG12 ' A' ' 41' ' ' ILE . 2.0 t -40.34 -69.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.438 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.3 mt-10 -42.88 -62.84 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.22 -32.12 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.2 tp10 -73.01 -44.99 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 37' ' ' LEU . 2.5 t -68.15 -22.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -55.0 15.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -42.37 -33.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -73.86 -72.8 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -36.79 -43.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tp10 -54.75 -51.84 64.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.539 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 3.1 mt -50.76 -49.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -56.76 -20.81 24.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -95.39 -35.35 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.593 ' CD1' ' CD2' ' A' ' 30' ' ' LEU . 13.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' GLU . 46.4 t -54.64 -52.27 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -67.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -20.37 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -80.46 -67.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -35.87 -34.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.72 -50.98 54.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -79.72 -57.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.605 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 84.4 t -43.2 -45.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -55.23 -52.53 63.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.234 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.52 86.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' VAL . 5.3 mt -49.46 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -39.92 -42.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.5 -59.87 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.7 mtmm -50.97 -57.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 30' ' ' LEU . 43.7 t -45.17 -29.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.88 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.61 -23.19 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.542 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 3.3 mt -65.36 128.54 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.31 -31.17 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . 52.92 175.17 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.92 44.44 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.5 52.23 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.45 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.542 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.52 -31.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 41.2 tt0 -36.84 -59.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.9 -73.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' CD1' HG13 ' A' ' 18' ' ' VAL . 2.4 pp -46.05 -40.86 11.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -57.12 -37.25 71.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLU . 4.7 mtpt -60.7 -60.59 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 22.2 mttt -60.16 -33.81 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.605 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -61.47 -26.84 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.69 -36.65 43.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.6 -28.42 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.54 -59.71 2.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -50.04 -31.6 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -64.02 -38.49 91.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.55 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 6.4 mt -57.26 -20.87 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -53.83 7.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -6.4 57.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 4.8 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 44' ' ' LEU . 32.3 t -57.64 -33.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.7 -32.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.2 mttt -76.23 -57.77 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.3 t -40.62 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -42.36 -60.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -28.97 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.592 1.182 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' VAL . 6.7 tp10 -77.8 -44.56 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 37' ' ' LEU . 2.2 t -69.34 -24.54 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -53.59 31.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -44.28 -31.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -74.94 -72.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.95 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -51.09 -50.57 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' HG23 ' A' ' 18' ' ' VAL . 3.1 mt -55.03 -38.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -20.14 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.34 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 5.7 mtt-85 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -55.21 -40.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -59.75 -55.88 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.06 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -85.62 -59.69 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.0 tm-20 -36.23 -34.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -52.97 -56.29 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -56.28 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.628 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 85.2 t -44.08 -50.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -50.58 -50.76 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.538 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.7 mt -50.34 -38.87 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 30.3 tt0 -61.15 -50.87 71.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -69.17 -39.4 78.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.38 -62.82 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.57 ' CG1' ' CG ' ' A' ' 31' ' ' LYS . 87.7 t -44.75 -33.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -39.14 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.72 -28.0 63.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 2.6 mt -62.59 123.81 19.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.28 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.497 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 58.69 -179.47 1.4 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 26.82 3.25 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.22 72.69 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 176.17 -34.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.509 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.3 pt -91.27 -36.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 33.5 tt0 -36.28 -61.74 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 9.2 tt0 -44.93 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 3.1 pp -48.62 -39.12 22.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.57 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 13.5 mtmt -60.84 -33.49 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.12 -57.72 8.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.9 mttt -62.42 -34.89 77.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.628 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.53 -28.65 67.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -33.73 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.74 -18.18 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -82.29 -56.85 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -51.5 -32.42 27.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -66.69 -29.35 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.3 -46.46 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 2.0 mt -58.5 -18.53 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -54.62 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -8.92 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.7 mt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' LYS . 32.0 t -47.16 -33.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.86 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.08 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.8 t -41.63 -68.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.9 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -28.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.1 tp10 -77.61 -46.95 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.3 t -67.34 -22.94 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -54.91 12.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.54 -31.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -75.28 -71.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -67.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.8 tp10 -53.55 -55.27 27.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.527 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 2.1 mt -49.04 -41.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -63.28 -31.11 72.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -84.18 -31.11 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.82 -51.2 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.74 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.78 -22.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.93 -63.77 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.7 tt0 -36.06 -38.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.593 1.183 . . . . 0.0 110.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -49.27 -50.29 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.83 -61.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.637 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 62.7 t -41.4 -51.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -51.6 -51.7 53.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.48 88.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' VAL . 5.4 mt -54.99 -59.65 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -40.09 -46.56 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -69.26 -53.81 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 6.7 mptt -56.27 -60.05 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG23 ' CD1' ' A' ' 64' ' ' ILE . 38.7 t -45.55 -26.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -85.42 -41.29 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.43 -26.16 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 2.3 mt -63.88 119.03 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.36 -29.23 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 61.09 -179.44 3.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.91 26.9 3.14 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.05 74.31 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 67' ' ' LEU . 2.0 mmt180 174.77 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.793 . . . . 0.0 110.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.3 pt -91.43 -30.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 tt0 -41.79 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -50.68 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 18' ' ' VAL . 1.4 pp -45.46 -40.32 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' CE ' HG11 ' A' ' 18' ' ' VAL . 3.3 mttt -58.46 -40.08 81.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -58.17 -60.77 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.382 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.1 mttt -57.9 -37.01 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.637 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -60.04 -31.25 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.007 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -32.43 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.09 -18.08 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD13 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -82.64 -55.94 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -53.26 -31.05 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.69 -26.21 66.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 7.8 mmtm -80.39 -44.52 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.6 mt -61.28 -21.95 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.03 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.602 1.189 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.75 -6.2 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' LYS . 23.2 t -53.57 -33.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 60.7 mttt -37.75 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.4 mptt -73.96 -59.18 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 41' ' ' ILE . 2.4 t -42.11 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -40.6 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -29.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' VAL . 4.2 tp10 -76.3 -42.38 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.485 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.1 t -70.47 -19.76 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' LEU . 2.0 tttt -71.93 -55.3 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -42.0 -30.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -75.4 -70.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' CE ' ' A' ' 10' ' ' LYS . 1.3 mm-40 -34.7 -52.16 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -69.12 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -51.3 -52.6 43.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 ' CD1' HG23 ' A' ' 18' ' ' VAL . 2.0 mt -53.12 -40.82 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -65.17 -24.16 67.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -32.07 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 21' ' ' LEU . 23.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -91.74 -41.28 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' HG2' ' CG1' ' A' ' 50' ' ' VAL . 2.5 mpt_? 69.36 -59.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.451 HG23 ' CG2' ' A' ' 41' ' ' ILE . 1.2 p -54.1 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -62.37 -59.71 4.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.35 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -85.62 -52.15 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.0 tt0 -36.59 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -68.19 -53.43 24.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . 4.5 tptm -59.17 -54.34 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.562 HG11 ' CH2' ' A' ' 34' ' ' TRP . 10.5 t -50.33 -57.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -35.94 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.56 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 3.8 mt -82.24 4.52 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -52.21 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.45 -37.2 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.413 1.071 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.9 mtpt -71.1 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 55.9 t -44.67 -40.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -38.34 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.05 -41.69 79.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 1.4 mt -48.74 123.22 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.92 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.563 1.164 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.5 ' HA2' HG12 ' A' ' 27' ' ' ILE . . . 60.83 -177.91 3.68 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.24 26.95 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.94 71.42 0.54 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.6 mtp180 177.46 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.267 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.2 pt -91.45 -35.86 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 tp10 -36.2 -58.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -47.21 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' CD1' HG12 ' A' ' 18' ' ' VAL . 4.0 pp -48.57 -39.5 23.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -60.4 -33.43 72.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -62.5 -59.23 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.48 -36.46 80.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.562 ' CH2' HG11 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.3 -27.7 64.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.12 45.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.57 -14.48 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -84.53 -54.71 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -54.43 -33.81 60.18 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.584 1.177 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -69.44 -23.64 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.7 mttt -81.12 -42.47 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.514 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.7 mt -62.44 -17.13 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -54.43 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.75 -12.74 61.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 9.0 mt -43.48 99.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.07 -72.78 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.28 63.41 1.04 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.36 128.45 2.54 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.34 42.98 3.16 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -92.99 28.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' LYS . 36.6 t -56.54 -32.51 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.58 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.6 mtmt -71.7 -59.07 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.2 t -43.4 -67.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -39.84 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -31.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.4 tp10 -72.96 -41.8 64.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 37' ' ' LEU . 2.2 t -71.25 -18.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.68 -54.84 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -30.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' CB ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.74 -70.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.8 mm-40 -35.92 -54.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -57.94 -57.62 12.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 2.3 mt -47.13 -47.34 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.69 -31.55 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -83.98 -32.68 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD11 ' CD1' ' A' ' 21' ' ' LEU . 12.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -120.64 82.65 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -57.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' LEU . 18.4 t -54.35 -65.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -59.31 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 -23.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.3 -56.76 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -37.43 -32.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.7 tt0 -54.38 -57.68 10.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.22 -54.48 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.644 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 14.5 t -44.7 -56.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.21 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD11 ' CG1' ' A' ' 57' ' ' VAL . 10.1 mt -61.64 -39.23 90.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -56.16 -44.97 79.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.6 -49.46 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.99 2.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.553 ' CG2' HD13 ' A' ' 30' ' ' LEU . 59.9 t -45.08 -41.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -41.21 67.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.07 67.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.542 ' CD1' HD13 ' A' ' 67' ' ' LEU . 3.1 mt -50.66 135.07 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -48.96 -23.29 3.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 54.38 166.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.69 50.07 0.28 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.73 -46.97 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 1.4 mmp_? -62.1 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.467 HD13 ' CA ' ' A' ' 23' ' ' GLY . 2.9 pt -48.58 -26.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.0 tm-20 -43.46 -24.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.18 -51.45 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 1.069 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.98 -52.13 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mtpt -71.9 -61.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -58.95 -40.54 85.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.644 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.39 -27.35 65.91 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -34.95 46.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.25 -18.0 35.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -81.44 -54.47 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.5 ttmm -53.07 -33.23 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -66.45 -24.72 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 5.1 mttt -81.29 -42.37 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.5 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.7 mt -63.4 -18.79 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -54.49 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -7.29 54.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.5 mt -41.65 102.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.97 160.04 11.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 42.7 54.33 4.99 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.87 -47.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.41 23.01 73.39 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -90.38 34.54 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LYS . 22.4 t -58.59 -33.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' VAL . 5.5 mptt -72.04 -59.02 2.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.4 t -43.91 -68.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.65 -69.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.19 -30.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.4 tp10 -76.39 -47.87 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.6 t -64.69 -27.42 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -55.04 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -44.55 -30.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' CD2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -73.52 -71.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -36.16 -53.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -52.44 -54.98 25.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.547 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 4.0 mt -47.2 -56.21 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -49.87 -23.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -96.06 -29.75 13.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -100.61 78.66 2.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 0.726 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -148.08 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 41' ' ' ILE . 44.6 t -94.48 -57.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -60.42 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.76 -21.78 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -86.25 -54.14 4.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.9 tt0 -35.73 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.23 -55.57 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -71.49 -47.33 56.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.632 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 4.7 t -52.86 -64.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 2.5 tttp -39.87 -52.22 2.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.97 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.229 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD12 ' CG1' ' A' ' 57' ' ' VAL . 3.8 mt -51.93 -32.36 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 11.0 tt0 -65.53 -61.51 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -59.16 -36.35 75.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.39 -66.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.547 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 54.4 t -44.1 -26.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 17' ' ' LYS . 3.5 tttt -84.49 -43.29 14.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.21 -34.65 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD11 ' CG2' ' A' ' 27' ' ' ILE . 3.2 mt -54.02 135.54 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.27 -21.83 9.18 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 57.01 165.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.46 43.37 0.23 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 -45.09 1.19 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -63.35 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.49 HD13 ' CA ' ' A' ' 23' ' ' GLY . 5.0 pt -51.64 -21.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 2.3 tp10 -52.27 -17.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.79 -35.73 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -62.08 -61.56 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 mtpt -44.01 -31.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mttt -65.95 -69.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 5.0 mttp -54.92 -36.08 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.632 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -63.0 -32.53 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -34.33 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.99 -16.5 38.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD12 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.17 -54.64 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -51.32 -31.29 21.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -69.35 -24.2 63.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 24.7 mttm -81.37 -44.7 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 4.4 mt -62.9 -17.82 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 109.377 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -53.81 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -75.42 -6.23 48.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.49 ' CD2' ' CG2' ' A' ' 50' ' ' VAL . 5.6 mt -41.28 99.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 179.81 -93.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.86 81.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.41 -43.83 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.76 55.82 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.95 33.29 1.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 0.811 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 35.6 t -46.61 -33.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' VAL . 14.0 mttm -37.88 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.29 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.2 t -41.31 -68.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.9 mm-40 -41.75 -59.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -29.35 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.2 tp10 -76.7 -46.98 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.506 ' CG2' HD12 ' A' ' 37' ' ' LEU . 24.4 t -69.46 -19.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.42 -53.23 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -42.37 -34.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -68.85 -72.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.362 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -35.49 -54.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.19 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -55.98 -57.94 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.547 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 1.5 mt -49.04 -37.27 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmpt? -66.1 -32.95 74.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.44 -32.35 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 64' ' ' ILE . 3.4 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 179.48 -53.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.004 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -115.12 -60.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.91 -53.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -48.94 -64.1 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.78 -19.12 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -81.62 -65.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -36.49 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -53.48 -59.11 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -55.27 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.227 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.603 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 66.4 t -45.07 -49.58 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -52.85 -49.98 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.75 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 18' ' ' VAL . 10.4 mt -53.87 -47.36 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -50.62 -45.43 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -74.08 -57.52 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -50.97 -60.54 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 30' ' ' LEU . 76.4 t -44.41 -35.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -78.26 -41.19 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.79 -28.69 57.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.7 mt -62.16 133.12 54.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.27 -25.45 1.92 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' HD11 ' A' ' 27' ' ' ILE . . . 53.74 170.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.21 51.17 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.19 60.08 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -102.76 -77.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 0.748 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.518 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -47.94 -37.93 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' ILE . 6.5 tt0 -31.45 -63.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -44.43 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -50.43 -39.5 47.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.87 -29.55 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.11 -52.47 48.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' LEU . 9.3 mttm -69.3 -35.32 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.603 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -56.61 -25.4 52.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -38.06 35.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.07 -23.77 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.32 -58.2 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.2 ttmm -51.82 -31.06 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -71.29 -28.84 64.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.84 -45.25 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 5.3 mt -61.49 -17.31 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -53.94 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -7.59 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.509 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 6.3 mt -41.7 105.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 173.7 147.85 6.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.67 -73.08 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -43.15 -42.06 5.14 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.06 26.06 48.01 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.89 34.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 0.806 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' LYS . 38.4 t -47.2 -33.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.29 -32.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.0 -59.12 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.2 t -41.48 -64.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mm-40 -41.6 -64.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -29.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.7 tp10 -77.64 -46.71 21.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.4 t -67.67 -23.3 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -54.24 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.09 -35.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -72.07 -74.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -35.56 -41.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -68.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -52.56 -50.81 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' CD1' HG23 ' A' ' 18' ' ' VAL . 2.3 mt -52.34 -39.26 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -22.72 65.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.237 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -93.28 -31.64 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 ' CD1' ' A' ' 21' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.62 68.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.749 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.9 -58.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.347 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' LEU . 85.0 t -83.15 -62.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.96 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.4 -27.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -81.74 -57.25 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -36.81 -33.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -54.15 -56.59 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -52.09 28.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.633 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 19.7 t -47.49 -56.03 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -49.61 -46.09 48.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.14 93.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.4 mt -58.72 -50.8 72.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.589 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 32.1 tt0 -47.93 -51.84 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.07 -55.12 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.86 -61.4 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' A' ' 64' ' ' ILE . 50.8 t -44.23 -34.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -77.88 -41.17 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.209 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -56.28 -25.73 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.9 mt -65.24 131.95 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.12 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' CA ' HD11 ' A' ' 27' ' ' ILE . . . 56.01 -174.18 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.92 -30.77 5.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.14 43.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -69.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.1 pt -48.25 -32.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.9 tt0 -35.32 -61.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -46.35 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CD1' HG12 ' A' ' 18' ' ' VAL . 3.2 pp -47.18 -40.74 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 4.4 mtpt -58.37 -38.67 77.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.1 mtpt -58.07 -57.15 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 17.7 mttt -63.99 -37.54 87.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.633 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.96 -29.35 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.168 . . . . 0.0 107.987 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.61 -35.8 45.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.43 -14.69 48.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.5 -53.41 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -55.38 -34.03 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -23.62 65.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 6.4 mptt -82.3 -43.43 17.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.498 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 2.2 mt -61.44 -19.0 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.52 -53.42 7.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.53 -5.06 48.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.2 mt -41.28 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.94 167.21 24.08 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.37 48.77 2.24 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.08 -42.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.71 26.68 67.15 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -90.58 34.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' LYS . 24.8 t -57.65 -33.54 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -37.95 -31.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' VAL . 6.4 mmtt -74.39 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.6 t -41.39 -71.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -38.13 -70.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -42.86 -32.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 tp10 -73.62 -44.46 56.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.483 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.3 t -68.27 -25.08 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -54.38 22.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -42.76 -33.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -73.2 -72.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.53 -51.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -69.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -51.12 -49.58 60.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.521 ' CD1' HG23 ' A' ' 18' ' ' VAL . 2.6 mt -56.65 -37.9 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -20.82 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -30.55 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 21' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 71.31 -61.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.727 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -61.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.4 -51.75 65.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.79 -54.92 31.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.35 -16.68 48.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -86.28 -60.08 2.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 22.1 tt0 -37.81 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -57.03 -56.12 25.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -52.72 26.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.61 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 47.6 t -48.93 -47.91 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -56.92 -47.26 81.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 34' ' ' TRP . 7.0 mt -65.85 -62.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 3.3 tt0 -35.01 -41.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.237 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.25 -56.72 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.43 -51.69 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.601 1.188 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . 30.6 t -50.25 -39.16 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -24.84 61.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -76.64 -2.67 33.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 10.7 mt -87.74 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' GLY . . . -69.38 59.22 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . -35.38 152.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.71 40.34 0.46 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.08 42.55 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 -84.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.532 HD13 ' CA ' ' A' ' 23' ' ' GLY . 3.0 pt -48.22 -25.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 1.5 tt0 -43.86 -20.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -104.77 -59.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.564 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -52.38 -50.89 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -50.21 -22.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -76.6 -67.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -51.18 -41.51 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.347 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.61 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.83 -29.91 65.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LYS . 2.0 mm-40 -78.54 -34.57 47.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.89 -15.52 44.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -83.72 -53.72 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.73 -33.15 46.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -25.08 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 18.9 mttt -80.24 -43.31 21.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 11' ' ' VAL . 1.6 mt -62.63 -16.75 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.401 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.84 -55.25 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.9 tt0 -69.51 -14.54 62.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' CG2' ' A' ' 50' ' ' VAL . 9.1 mt -43.3 99.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -160.97 -111.29 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.9 -57.09 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.79 115.46 4.14 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.6 44.51 3.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -94.38 36.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.482 ' CG2' HD23 ' A' ' 44' ' ' LEU . 36.3 t -58.35 -32.53 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -37.84 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.09 -59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.4 t -41.92 -70.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' HG13 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.62 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.94 -33.8 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tp10 -72.01 -44.73 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.2 t -68.14 -22.93 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -56.11 12.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -46.79 -25.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' CD2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -78.76 -72.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -36.61 -47.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -64.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -55.0 -47.43 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD11 ' CD2' ' A' ' 60' ' ' LEU . 7.7 mt -60.68 -37.84 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.9 mtpt -70.28 -19.0 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -27.66 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -154.83 -54.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.076 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 70.16 -63.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.77 -41.12 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -58.19 -58.72 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.0 -15.23 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -86.44 -59.4 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.4 tt0 -37.98 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' LEU . 11.8 mt-10 -55.37 -61.77 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -64.62 -46.92 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.632 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 50.5 t -54.33 -67.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -39.02 -47.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -48.17 81.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 5.1 mt -48.97 -40.48 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.0 tt0 -57.26 -52.92 63.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.0 -46.51 74.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -60.22 -61.15 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 69.5 t -45.06 -39.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -75.04 -39.53 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.3 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.591 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -47.71 151.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.94 -25.84 64.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' CA ' ' CD1' ' A' ' 27' ' ' ILE . . . 59.11 154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.13 51.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.14 -30.21 8.86 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.7 mpt_? -72.55 -84.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.591 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 2.2 pt -49.03 -24.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.4 tt0 -46.83 -22.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 110.373 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.35 -46.76 5.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -54.35 -56.63 16.63 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -45.21 -28.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 8.8 mtpt -70.95 -70.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.45 -38.12 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.632 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -60.49 -29.26 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -78.21 -34.75 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.94 -16.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.72 -57.67 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 5.0 ttmm -50.26 -31.37 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.74 -28.48 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.36 -51.43 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 37' ' ' LEU . 2.8 mt -59.77 -18.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.09 -55.15 5.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -7.21 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.5 mt -41.38 105.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.0 -175.46 47.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.43 52.11 1.79 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.72 138.04 3.58 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.95 45.53 3.21 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -89.29 39.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' LYS . 44.6 t -77.01 -31.52 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' VAL . 17.4 mttt -36.76 -32.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' VAL . 8.5 mttt -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -42.14 -64.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' HG11 ' A' ' 53' ' ' VAL . 2.3 mt-10 -44.82 -51.04 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 19.4 tt0 -78.27 -41.65 33.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 37' ' ' LEU . 36.0 t -68.89 -26.57 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -61.74 -52.87 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -41.92 -40.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -62.78 -71.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.3 mt-10 -37.85 -58.21 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -67.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -51.88 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.497 ' CD1' HG23 ' A' ' 18' ' ' VAL . 5.2 mt -53.93 -38.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 61' ' ' GLU . 26.6 ttmt -66.24 -23.67 66.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -28.13 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 30' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -138.3 55.82 1.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 0.769 . . . . 0.0 109.929 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? 66.22 -68.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' SER . 98.6 t -54.1 -44.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.19 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.22 -21.34 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 9' ' ' GLU . 1.7 mm? -85.84 -58.38 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -36.63 -32.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.1 tt0 -54.43 -61.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.656 1.223 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -52.9 22.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.633 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 62.1 t -46.64 -55.4 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -47.38 -51.81 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.93 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD11 ' CG1' ' A' ' 57' ' ' VAL . 8.7 mt -51.67 -48.26 63.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.584 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -49.29 -41.12 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -80.53 -55.66 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -51.95 -56.63 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' A' ' 64' ' ' ILE . 54.8 t -47.79 -33.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -74.35 -36.4 63.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.3 -14.99 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' CG2' ' A' ' 27' ' ' ILE . 10.3 mt -75.07 122.06 22.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.78 -31.65 1.19 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 68.22 159.56 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 55.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -35.64 4.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.744 . . . . 0.0 110.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.7 pt -48.63 -31.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.5 tt0 -39.48 -27.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.72 -53.82 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.228 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.616 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -52.96 -52.07 59.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -49.03 -25.8 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.3 mtpp -75.62 -67.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.5 ptpp? -50.08 -40.31 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.633 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.1 -31.02 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -78.73 -32.84 46.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 -16.67 39.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -84.88 -55.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -54.08 -30.81 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -80.81 -43.21 20.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 2.3 mt -60.3 -21.06 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.43 -54.69 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.12 -6.44 54.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.1 mt -41.21 106.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.58 151.92 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.07 -71.89 0.94 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.18 75.71 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.46 26.55 66.56 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.12 39.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LYS . 25.9 t -56.74 -33.78 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' VAL . 9.8 mttm -37.74 -31.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.4 mmtt -75.3 -59.27 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.8 t -41.52 -70.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.99 -70.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.93 -31.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 tp10 -74.09 -45.76 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.483 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.4 t -66.74 -24.45 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' LEU . 3.5 tptt -67.41 -55.38 13.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -44.93 -25.95 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' CD2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -77.72 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -37.67 -53.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.02 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tt0 -55.98 -54.01 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.501 ' CD1' HG21 ' A' ' 18' ' ' VAL . 4.8 mt -51.81 -38.93 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' GLU . 10.6 mmtp -67.08 -26.13 66.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -31.19 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 21' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -85.17 89.38 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.012 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 3.0 mpt_? -122.72 -60.91 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.42 -49.54 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -55.08 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.75 57.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -86.41 -65.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.377 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -36.44 -34.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.24 -51.87 60.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.27 -54.37 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.629 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 57.0 t -46.45 -51.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 3.1 tptt -49.07 -54.0 17.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.26 94.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD11 ' CG1' ' A' ' 57' ' ' VAL . 4.8 mt -48.52 -36.87 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.6 tm-20 -65.28 -46.96 78.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -29.5 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 3.0 tttt -79.83 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 53.2 t -45.87 -34.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -77.87 -41.17 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.59 65.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.7 mt -55.08 133.42 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.49 -32.09 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.595 1.185 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 56.59 178.03 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.78 37.34 3.71 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 63.38 0.21 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.11 -79.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.499 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.7 pt -47.27 -33.61 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 13.3 tt0 -34.91 -61.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.3 -73.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -45.41 -40.95 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.7 mttm -58.01 -37.75 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.2 mttt -61.22 -49.73 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.3 mttp -69.99 -42.69 72.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.629 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -52.7 -27.43 17.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.35 -41.24 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -15.37 57.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CD1' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -83.98 -57.13 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.3 ttmm -52.39 -31.54 34.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -62.69 -37.26 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.3 mttp -70.51 -48.6 54.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.526 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 11.6 mt -55.95 -22.56 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.61 -53.57 11.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -80.92 -10.54 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 6.2 mt -41.01 97.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -155.86 166.66 33.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 39.27 -99.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.06 126.4 1.97 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.87 46.91 3.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.594 0.82 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.32 38.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 52' ' ' LYS . 44.3 t -76.83 -32.78 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 10.3 tttt -37.56 -31.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -72.92 -58.84 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.7 t -43.18 -67.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.3 mm-40 -39.91 -67.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -31.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.4 tp10 -74.94 -47.84 27.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' CD1' ' A' ' 37' ' ' LEU . 2.9 t -66.37 -25.56 35.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.54 -55.04 15.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -76.71 -71.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.4 mm-40 -35.45 -50.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.01 -69.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -50.98 -52.13 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.555 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -51.39 -39.21 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.72 -25.58 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -38.02 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 21' ' ' LEU . 9.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -152.06 -64.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -87.81 -51.88 5.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.1 t -55.53 -47.49 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.38 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.53 -21.55 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -77.78 -66.7 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 10.3 tt0 -36.11 -33.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -51.38 -59.38 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -56.09 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.619 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 66.3 t -43.5 -57.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.7 tppt? -44.2 -51.46 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.22 86.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.7 mt -50.1 -34.18 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 29.3 tt0 -67.42 -56.23 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.65 -25.29 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.0 mtmt -83.26 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 64' ' ' ILE . 55.8 t -42.08 -35.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.49 -45.32 39.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.19 -43.18 74.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' CG2' ' A' ' 27' ' ' ILE . 5.0 mt -44.52 125.23 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.63 -30.23 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' HA3' ' CD1' ' A' ' 27' ' ' ILE . . . 56.42 -170.59 2.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.94 34.99 7.91 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.32 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' CD ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.3 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.554 ' CG2' HD13 ' A' ' 21' ' ' LEU . 5.4 pt -48.67 -24.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 3.4 tp10 -48.47 -23.21 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -42.9 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CD2' HG12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.28 -54.68 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -26.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 12.0 mtpt -69.57 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -54.23 -35.47 62.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.619 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -63.93 -26.08 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -78.18 -31.96 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.99 -29.34 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.89 -58.63 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.9 ttmm -50.67 -29.5 11.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.2 -33.91 70.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 3.1 mtmt -72.02 -47.26 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.513 HG12 ' CG1' ' A' ' 53' ' ' VAL . 4.7 mt -59.85 -16.06 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -54.06 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -71.92 -12.09 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 7.8 mt -41.82 97.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -161.35 -107.63 0.22 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.451 1.095 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.72 -58.5 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.11 107.22 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 43.6 3.26 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.1 33.58 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' LYS . 42.8 t -45.63 -33.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -37.78 -31.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.06 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.513 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.1 t -40.52 -64.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -42.22 -64.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -28.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.8 tp10 -77.06 -43.99 32.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 37' ' ' LEU . 2.3 t -69.84 -24.4 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -52.93 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -42.96 -34.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -70.33 -73.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm-40 -35.12 -50.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.75 -68.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -50.45 65.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.382 1.052 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.494 ' CD1' HG21 ' A' ' 18' ' ' VAL . 1.5 mt -55.64 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 7.6 mttt -70.94 -17.8 62.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.36 60.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 21' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -63.94 91.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -179.74 -71.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.9 t -54.7 -52.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.98 -20.3 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -86.26 -54.32 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' LEU . 25.0 tt0 -35.9 -34.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -55.34 -53.39 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tptt -66.73 -59.28 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.617 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 13.5 t -45.63 -66.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -39.98 -51.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.13 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 57' ' ' VAL . 6.9 mt -55.95 -34.37 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.77 -65.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.6 tp10 -56.2 -41.48 75.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.15 -67.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG2' HD11 ' A' ' 64' ' ' ILE . 43.7 t -44.73 -38.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -72.85 -40.56 65.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -56.46 -47.88 78.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.527 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -39.61 137.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.96 -22.63 12.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' CA ' HD11 ' A' ' 27' ' ' ILE . . . 47.35 -170.97 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.27 34.87 4.64 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.68 51.14 0.26 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -163.95 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -47.65 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.3 tt0 -37.07 -60.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.302 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.52 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -45.59 -41.52 10.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -56.6 -36.64 69.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -62.58 -45.46 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -73.61 -37.16 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.617 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.11 -25.15 63.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -34.74 44.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -33.13 22.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.65 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.65 -59.86 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -50.35 -31.94 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.84 -29.23 66.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.1 tptt -74.84 -44.36 49.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 37' ' ' LEU . 2.7 mt -59.1 -16.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -55.26 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.3 tm-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 7.2 mt -42.12 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 175.04 141.77 3.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.4 -68.78 0.38 Allowed Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.51 -43.58 10.81 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.03 28.19 63.43 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.62 37.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' CG2' HD21 ' A' ' 44' ' ' LEU . 21.0 t -52.71 -34.71 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.74 -31.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 2.8 mmtt -74.43 -58.81 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.4 t -41.3 -70.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 57' ' ' VAL . 2.5 mt-10 -38.8 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -32.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.8 tp10 -74.16 -46.91 39.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.6 t -66.19 -24.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.36 -54.85 16.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.193 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -41.9 -31.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.58 -70.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.1 mm-40 -34.14 -64.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.09 -68.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 tp10 -50.56 -56.64 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD11 ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -47.8 -43.84 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.75 -30.12 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -86.56 -32.48 20.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 21' ' ' LEU . 27.8 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -75.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -149.92 -83.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 41' ' ' ILE . 1.2 p -54.59 -30.78 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -68.51 -57.02 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.92 -11.72 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -85.75 -55.67 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LEU . 3.6 tt0 -37.58 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -58.99 -51.77 68.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.076 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.6 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.627 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 42.9 t -42.04 -60.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 7.1 tptt -45.18 -52.86 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.72 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 18' ' ' VAL . 10.3 mt -55.67 -36.69 67.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -58.12 -44.44 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 13.5 tt0 -74.62 -41.68 59.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 mmtt -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 64' ' ' ILE . 55.0 t -44.89 -38.29 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -79.05 -35.06 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.38 -16.92 57.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.0 mt -73.3 137.87 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -45.12 -26.28 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' CA ' HD12 ' A' ' 27' ' ' ILE . . . 48.41 -178.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.62 -33.17 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.88 54.23 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.2 -73.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.56 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.1 pt -47.74 -32.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ILE . 3.8 tt0 -34.41 -58.04 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -53.64 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.5 HD11 ' CG2' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -45.86 -40.01 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.7 mtmt -58.78 -37.55 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.9 mttt -59.87 -51.87 67.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.3 -43.17 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.627 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -51.24 -25.23 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 107.945 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -37.15 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.11 -23.7 28.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.65 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.8 -59.51 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -50.94 -30.68 15.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -70.78 -26.56 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.01 -45.1 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG12 ' CG1' ' A' ' 53' ' ' VAL . 5.9 mt -62.14 -16.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.57 -53.24 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -74.94 -10.39 59.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 6.6 mt -42.2 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 175.31 -70.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.06 61.36 0.38 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 137.14 127.42 2.6 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.58 46.09 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 0.806 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -95.12 30.26 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 3' ' ' ARG . 41.0 t -57.6 -32.97 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.6 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.58 -58.42 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.499 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.0 t -41.35 -65.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' HG13 ' A' ' 53' ' ' VAL . 1.3 mt-10 -44.39 -66.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -29.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.7 tp10 -76.08 -49.26 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 37' ' ' LEU . 4.5 t -64.78 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -66.07 -54.85 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -42.53 -35.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.54 -72.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -36.18 -56.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -64.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -56.75 -57.73 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.541 ' CD1' HG21 ' A' ' 18' ' ' VAL . 3.7 mt -45.45 -58.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -25.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -92.36 -40.33 10.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 21' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 6' ' ' ALA . 2.7 t 169.12 138.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 2' ' ' SER . 5.2 ttp-105 76.32 -70.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.4 t -92.82 -66.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 1' ' ' GLY . 1.7 mtmt -49.37 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 2' ' ' SER . . . -41.98 -28.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -80.55 -56.22 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.627 1.204 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' LEU . 27.1 tt0 -36.69 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.0 mt-10 -53.79 -57.14 11.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -51.76 23.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.613 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 66.6 t -47.94 -53.79 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.08 -47.65 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.34 97.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' VAL . 9.6 mt -53.29 -43.23 67.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 28.4 tt0 -56.51 -44.43 80.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.9 mt-10 -75.0 -47.93 26.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.1 -60.8 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 74.5 t -44.89 -43.24 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -36.79 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -58.61 -30.58 67.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 4.1 mt -59.69 141.5 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.406 1.067 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.55 -27.0 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 50.35 -171.64 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 37.86 4.41 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.62 54.25 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.08 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.558 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.6 pt -47.74 -34.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.3 tt0 -34.55 -61.87 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -45.55 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 3.7 pp -48.77 -41.15 31.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 2.3 mtpt -57.88 -30.86 66.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mtpt -66.09 -54.77 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' LEU . 14.8 mttt -67.41 -35.71 79.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.613 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -57.24 -26.65 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 107.965 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -36.33 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.78 -23.37 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.16 -57.66 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -52.34 -31.82 35.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mttt -81.19 -42.69 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 HG12 ' CG2' ' A' ' 53' ' ' VAL . 3.8 mt -64.88 -16.97 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -54.0 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.68 -6.18 49.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.4 mt -41.18 107.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.04 147.82 5.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.68 -80.59 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.27 -43.62 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.1 23.99 68.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -90.94 40.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' LYS . 27.4 t -58.34 -33.87 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 41.9 mttt -37.95 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mttp -75.58 -57.91 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' CG2' HG12 ' A' ' 41' ' ' ILE . 2.0 t -40.34 -69.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.3 mt-10 -42.88 -62.84 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.22 -32.12 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.2 tp10 -73.01 -44.99 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 37' ' ' LEU . 2.5 t -68.15 -22.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -55.0 15.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -42.37 -33.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -73.86 -72.8 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -36.79 -43.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tp10 -54.75 -51.84 64.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.539 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 3.1 mt -50.76 -49.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -56.76 -20.81 24.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -95.39 -35.35 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.593 ' CD1' ' CD2' ' A' ' 30' ' ' LEU . 13.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.86 73.89 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 0.753 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -137.21 -62.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' GLU . 46.4 t -54.64 -52.27 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -67.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -20.37 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -80.46 -67.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -35.87 -34.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.72 -50.98 54.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -79.72 -57.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.605 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 84.4 t -43.2 -45.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -55.23 -52.53 63.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.234 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.52 86.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' VAL . 5.3 mt -49.46 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -39.92 -42.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.5 -59.87 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.7 mtmm -50.97 -57.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 30' ' ' LEU . 43.7 t -45.17 -29.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.88 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.61 -23.19 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.542 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 3.3 mt -65.36 128.54 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.31 -31.17 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' LEU . . . 52.92 175.17 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.92 44.44 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.5 52.23 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.45 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.542 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.52 -31.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 41.2 tt0 -36.84 -59.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.9 -73.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' CD1' HG13 ' A' ' 18' ' ' VAL . 2.4 pp -46.05 -40.86 11.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -57.12 -37.25 71.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLU . 4.7 mtpt -60.7 -60.59 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 22.2 mttt -60.16 -33.81 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.605 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -61.47 -26.84 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.69 -36.65 43.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.6 -28.42 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.54 -59.71 2.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -50.04 -31.6 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -64.02 -38.49 91.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.55 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 6.4 mt -57.26 -20.87 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -53.83 7.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -80.15 -6.4 57.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 4.8 mt -41.38 -28.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . -39.87 -54.29 2.99 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 115.5 5.31 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.63 136.76 8.39 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.73 41.4 2.14 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.09 33.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 44' ' ' LEU . 32.3 t -57.64 -33.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.7 -32.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.2 mttt -76.23 -57.77 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 41' ' ' ILE . 2.3 t -40.62 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' N ' HG11 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -42.36 -60.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -28.97 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.592 1.182 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' VAL . 6.7 tp10 -77.8 -44.56 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 37' ' ' LEU . 2.2 t -69.34 -24.54 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -53.59 31.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -44.28 -31.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -74.94 -72.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.95 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -51.09 -50.57 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' HG23 ' A' ' 18' ' ' VAL . 3.1 mt -55.03 -38.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -20.14 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.34 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -142.74 56.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.754 . . . . 0.0 110.068 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 5.7 mtt-85 -150.33 -69.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -55.21 -40.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -59.75 -55.88 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.06 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -85.62 -59.69 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.0 tm-20 -36.23 -34.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -52.97 -56.29 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -56.28 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.628 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 85.2 t -44.08 -50.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -50.58 -50.76 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.538 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 7.7 mt -50.34 -38.87 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 30.3 tt0 -61.15 -50.87 71.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -69.17 -39.4 78.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.38 -62.82 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.57 ' CG1' ' CG ' ' A' ' 31' ' ' LYS . 87.7 t -44.75 -33.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -39.14 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.72 -28.0 63.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 2.6 mt -62.59 123.81 19.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.28 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 58.69 -179.47 1.4 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 26.82 3.25 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.22 72.69 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 176.17 -34.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.509 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.3 pt -91.27 -36.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 33.5 tt0 -36.28 -61.74 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 9.2 tt0 -44.93 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 3.1 pp -48.62 -39.12 22.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.57 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 13.5 mtmt -60.84 -33.49 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.12 -57.72 8.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.9 mttt -62.42 -34.89 77.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.628 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.53 -28.65 67.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -33.73 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.74 -18.18 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -82.29 -56.85 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -51.5 -32.42 27.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -66.69 -29.35 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.3 -46.46 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 2.0 mt -58.5 -18.53 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -54.62 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -8.92 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.7 mt -41.31 105.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -119.37 0.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.1 -54.73 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.68 2.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.97 20.48 8.45 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.19 36.35 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 0.706 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' LYS . 32.0 t -47.16 -33.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.86 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.08 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 2.8 t -41.63 -68.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -39.9 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -28.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.1 tp10 -77.61 -46.95 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.3 t -67.34 -22.94 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -54.91 12.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.54 -31.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -75.28 -71.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -67.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.8 tp10 -53.55 -55.27 27.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.527 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 2.1 mt -49.04 -41.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -63.28 -31.11 72.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -84.18 -31.11 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' VAL . 38.8 t -130.17 4.2 4.81 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 2' ' ' SER . 6.7 mtt-85 65.18 -69.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' SER . 25.6 t -56.82 -51.2 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.74 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.78 -22.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.93 -63.77 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.7 tt0 -36.06 -38.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.593 1.183 . . . . 0.0 110.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -49.27 -50.29 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.83 -61.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.637 ' CG1' ' CZ3' ' A' ' 34' ' ' TRP . 62.7 t -41.4 -51.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -51.6 -51.7 53.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.48 88.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' VAL . 5.4 mt -54.99 -59.65 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -40.09 -46.56 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -69.26 -53.81 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 6.7 mptt -56.27 -60.05 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG23 ' CD1' ' A' ' 64' ' ' ILE . 38.7 t -45.55 -26.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -85.42 -41.29 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.43 -26.16 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' A' ' 27' ' ' ILE . 2.3 mt -63.88 119.03 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.36 -29.23 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' HD13 ' A' ' 27' ' ' ILE . . . 61.09 -179.44 3.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.91 26.9 3.14 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.05 74.31 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 67' ' ' LEU . 2.0 mmt180 174.77 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.793 . . . . 0.0 110.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' A' ' 21' ' ' LEU . 1.3 pt -91.43 -30.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 tt0 -41.79 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -50.68 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 18' ' ' VAL . 1.4 pp -45.46 -40.32 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' CE ' HG11 ' A' ' 18' ' ' VAL . 3.3 mttt -58.46 -40.08 81.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -58.17 -60.77 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.382 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.1 mttt -57.9 -37.01 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.637 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -60.04 -31.25 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.007 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -32.43 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.09 -18.08 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD13 ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -82.64 -55.94 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -53.26 -31.05 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.69 -26.21 66.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 7.8 mmtm -80.39 -44.52 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.6 mt -61.28 -21.95 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.03 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.602 1.189 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.75 -6.2 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' CD1' ' HA ' ' A' ' 41' ' ' ILE . 5.0 mt -41.66 109.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.98 158.14 9.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.51 57.08 6.8 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.78 -42.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.36 26.09 65.77 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -91.29 29.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' LYS . 23.2 t -53.57 -33.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 60.7 mttt -37.75 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.4 mptt -73.96 -59.18 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 41' ' ' ILE . 2.4 t -42.11 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -40.6 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -29.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' VAL . 4.2 tp10 -76.3 -42.38 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.485 ' CG2' HD13 ' A' ' 37' ' ' LEU . 2.1 t -70.47 -19.76 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' LEU . 2.0 tttt -71.93 -55.3 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -42.0 -30.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -75.4 -70.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' CE ' ' A' ' 10' ' ' LYS . 1.3 mm-40 -34.7 -52.16 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -69.12 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -51.3 -52.6 43.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 ' CD1' HG23 ' A' ' 18' ' ' VAL . 2.0 mt -53.12 -40.82 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -65.17 -24.16 67.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -32.07 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 21' ' ' LEU . 23.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.815 ' HG2' HG11 ' A' ' 50' ' ' VAL . 2.5 mpt_? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.997 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.1 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -62.37 -59.71 4.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.35 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.638 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -85.62 -52.15 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.0 tt0 -36.59 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -68.19 -53.43 24.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . 4.5 tptm -59.17 -54.34 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD12 ' A' ' 41' ' ' ILE . 10.5 t -50.33 -57.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -35.94 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.56 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD13 ' CB ' ' A' ' 60' ' ' LEU . 3.8 mt -82.24 4.52 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -52.21 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.9 tt0 -68.45 -37.2 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.413 1.071 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.9 mtpt -71.1 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 HD11 ' A' ' 64' ' ' ILE . 55.9 t -44.67 -40.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -38.34 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' GLU . . . -57.05 -41.69 79.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 1.4 mt -48.74 123.22 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.92 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.563 1.164 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.919 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 60.83 -177.91 3.68 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.24 26.95 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.94 71.42 0.54 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.6 mtp180 177.46 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.267 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 pt -91.45 -35.86 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 tp10 -36.2 -58.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -47.21 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 31' ' ' LYS . 4.0 pp -48.57 -39.5 23.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.869 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -60.4 -33.43 72.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -62.5 -59.23 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.48 -36.46 80.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.3 -27.7 64.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.12 45.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.57 -14.48 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.931 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.53 -54.71 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -54.43 -33.81 60.18 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.584 1.177 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -69.44 -23.64 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.7 mttt -81.12 -42.47 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.997 HG22 HG23 ' A' ' 4' ' ' VAL . 1.7 mt -62.44 -17.13 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -54.43 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.75 -12.74 61.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.037 HD22 HG22 ' A' ' 50' ' ' VAL . 9.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.037 HG22 HD22 ' A' ' 44' ' ' LEU . 36.6 t -56.54 -32.51 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.58 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.6 mtmt -71.7 -59.07 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -43.4 -67.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -39.84 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -31.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.4 tp10 -72.96 -41.8 64.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.2 t -71.25 -18.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.68 -54.84 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -30.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.694 ' CB ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.74 -70.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.8 mm-40 -35.92 -54.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' OE1' HD23 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.94 -57.62 12.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.822 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -47.13 -47.34 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.69 -31.55 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -83.98 -32.68 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' ILE . 12.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.749 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 41' ' ' ILE . 18.4 t -54.35 -65.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -59.31 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 -23.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -86.3 -56.76 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -37.43 -32.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.7 tt0 -54.38 -57.68 10.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.22 -54.48 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 41' ' ' ILE . 14.5 t -44.7 -56.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.21 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 64' ' ' ILE . 10.1 mt -61.64 -39.23 90.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -56.16 -44.97 79.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.6 -49.46 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.99 2.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 64' ' ' ILE . 59.9 t -45.08 -41.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -41.21 67.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.07 67.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' CG2' ' A' ' 27' ' ' ILE . 3.1 mt -50.66 135.07 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -48.96 -23.29 3.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 54.38 166.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.69 50.07 0.28 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.73 -46.97 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HB3' HD22 ' A' ' 67' ' ' LEU . 1.4 mmp_? -62.1 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.919 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.9 pt -48.58 -26.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.0 tm-20 -43.46 -24.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.18 -51.45 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 1.069 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.064 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -53.98 -52.13 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.72 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mtpt -71.9 -61.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -58.95 -40.54 85.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.644 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.39 -27.35 65.91 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -34.95 46.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.25 -18.0 35.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.88 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.44 -54.47 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.5 ttmm -53.07 -33.23 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -66.45 -24.72 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 5.1 mttt -81.29 -42.37 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 HD11 ' A' ' 37' ' ' LEU . 1.7 mt -63.4 -18.79 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -54.49 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -7.29 54.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.996 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.996 HG22 HD22 ' A' ' 44' ' ' LEU . 22.4 t -58.59 -33.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' VAL . 5.5 mptt -72.04 -59.02 2.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -43.91 -68.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.1 mt-10 -39.65 -69.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.19 -30.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.4 tp10 -76.39 -47.87 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 t -64.69 -27.42 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -55.04 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -44.55 -30.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.064 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.52 -71.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -36.16 -53.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -52.44 -54.98 25.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.0 mt -47.2 -56.21 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -49.87 -23.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -96.06 -29.75 13.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.878 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.989 HG13 HG22 ' A' ' 41' ' ' ILE . 44.6 t -94.48 -57.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -60.42 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.76 -21.78 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -86.25 -54.14 4.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.9 tt0 -35.73 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.23 -55.57 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -71.49 -47.33 56.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.689 HG12 ' CH2' ' A' ' 34' ' ' TRP . 4.7 t -52.86 -64.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 2.5 tttp -39.87 -52.22 2.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.97 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.229 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mt -51.93 -32.36 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 11.0 tt0 -65.53 -61.51 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -59.16 -36.35 75.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.39 -66.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 HD11 ' A' ' 64' ' ' ILE . 54.4 t -44.1 -26.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 17' ' ' LYS . 3.5 tttt -84.49 -43.29 14.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.21 -34.65 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 67' ' ' LEU . 3.2 mt -54.02 135.54 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.27 -21.83 9.18 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 57.01 165.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.46 43.37 0.23 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 -45.09 1.19 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.53 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.5 mtt180 -63.35 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.943 HG22 HD12 ' A' ' 21' ' ' LEU . 5.0 pt -51.64 -21.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 2.3 tp10 -52.27 -17.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.79 -35.73 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -62.08 -61.56 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 18' ' ' VAL . 1.4 mtpt -44.01 -31.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mttt -65.95 -69.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 5.0 mttp -54.92 -36.08 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.689 ' CH2' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -63.0 -32.53 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -34.33 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.99 -16.5 38.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.916 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.17 -54.64 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -51.32 -31.29 21.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -69.35 -24.2 63.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 24.7 mttm -81.37 -44.7 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.989 HG22 HG13 ' A' ' 4' ' ' VAL . 4.4 mt -62.9 -17.82 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 109.377 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -53.81 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -6.23 48.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.031 ' CD2' HG22 ' A' ' 50' ' ' VAL . 5.6 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.031 HG22 ' CD2' ' A' ' 44' ' ' LEU . 35.6 t -46.61 -33.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' VAL . 14.0 mttm -37.88 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.29 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 54' ' ' GLU . 2.2 t -41.31 -68.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mm-40 -41.75 -59.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -29.35 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.2 tp10 -76.7 -46.98 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.916 HG22 HD21 ' A' ' 37' ' ' LEU . 24.4 t -69.46 -19.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.42 -53.23 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -42.37 -34.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -68.85 -72.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.362 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -35.49 -54.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.19 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -55.98 -57.94 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -49.04 -37.27 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmpt? -66.1 -32.95 74.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.44 -32.35 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.781 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.763 HG13 HG22 ' A' ' 41' ' ' ILE . 43.7 t -53.91 -53.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -48.94 -64.1 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.78 -19.12 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.62 -65.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -36.49 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -53.48 -59.11 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -55.27 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.227 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD12 ' A' ' 41' ' ' ILE . 66.4 t -45.07 -49.58 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -52.85 -49.98 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.75 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 18' ' ' VAL . 10.4 mt -53.87 -47.36 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -50.62 -45.43 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -74.08 -57.52 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -50.97 -60.54 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 31' ' ' LYS . 76.4 t -44.41 -35.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -78.26 -41.19 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.79 -28.69 57.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.128 HD12 HG22 ' A' ' 27' ' ' ILE . 2.7 mt -62.16 133.12 54.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.27 -25.45 1.92 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 53.74 170.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.21 51.17 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.19 60.08 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -102.76 -77.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 0.748 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.128 HG22 HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -47.94 -37.93 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' ILE . 6.5 tt0 -31.45 -63.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -44.43 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.966 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -50.43 -39.5 47.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.966 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.87 -29.55 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.11 -52.47 48.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' LEU . 9.3 mttm -69.3 -35.32 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -56.61 -25.4 52.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -38.06 35.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.07 -23.77 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.32 -58.2 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.2 ttmm -51.82 -31.06 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -71.29 -28.84 64.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.84 -45.25 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.896 HD12 HG21 ' A' ' 11' ' ' VAL . 5.3 mt -61.49 -17.31 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -53.94 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -7.59 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.951 HD22 HG22 ' A' ' 50' ' ' VAL . 6.3 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.951 HG22 HD22 ' A' ' 44' ' ' LEU . 38.4 t -47.2 -33.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.29 -32.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.0 -59.12 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -41.48 -64.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mm-40 -41.6 -64.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -29.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.7 tp10 -77.64 -46.71 21.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -67.67 -23.3 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -54.24 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.09 -35.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.07 -74.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -35.56 -41.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -68.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -52.56 -50.81 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -52.34 -39.26 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -22.72 65.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.237 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -93.28 -31.64 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 64' ' ' ILE . 20.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.731 HG13 HG22 ' A' ' 41' ' ' ILE . 85.0 t -83.15 -62.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.96 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.4 -27.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -81.74 -57.25 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -36.81 -33.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -54.15 -56.59 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -52.09 28.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.798 HG21 HD12 ' A' ' 41' ' ' ILE . 19.7 t -47.49 -56.03 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -49.61 -46.09 48.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.14 93.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mt -58.72 -50.8 72.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.589 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 32.1 tt0 -47.93 -51.84 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.07 -55.12 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.86 -61.4 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.859 HG13 HD11 ' A' ' 30' ' ' LEU . 50.8 t -44.23 -34.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -77.88 -41.17 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.209 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -56.28 -25.73 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.04 HD12 HG22 ' A' ' 27' ' ' ILE . 4.9 mt -65.24 131.95 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.12 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.01 -174.18 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.92 -30.77 5.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.14 43.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -69.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.04 HG22 HD12 ' A' ' 21' ' ' LEU . 1.1 pt -48.25 -32.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.9 tt0 -35.32 -61.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -46.35 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -47.18 -40.74 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.944 ' N ' HD12 ' A' ' 30' ' ' LEU . 4.4 mtpt -58.37 -38.67 77.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.1 mtpt -58.07 -57.15 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 17.7 mttt -63.99 -37.54 87.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.654 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.96 -29.35 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.168 . . . . 0.0 107.987 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.61 -35.8 45.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.43 -14.69 48.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -85.5 -53.41 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -55.38 -34.03 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -23.62 65.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 6.4 mptt -82.3 -43.43 17.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 37' ' ' LEU . 2.2 mt -61.44 -19.0 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.52 -53.42 7.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.53 -5.06 48.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.007 HD22 HG22 ' A' ' 50' ' ' VAL . 5.2 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.007 HG22 HD22 ' A' ' 44' ' ' LEU . 24.8 t -57.65 -33.54 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -37.95 -31.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' VAL . 6.4 mmtt -74.39 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.6 t -41.39 -71.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -38.13 -70.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -42.86 -32.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 tp10 -73.62 -44.46 56.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -68.27 -25.08 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -54.38 22.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -42.76 -33.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.2 -72.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.53 -51.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -69.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -51.12 -49.58 60.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 18' ' ' VAL . 2.6 mt -56.65 -37.9 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -20.82 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -30.55 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 21' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.605 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 41' ' ' ILE . 85.3 t -57.4 -51.75 65.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.79 -54.92 31.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.35 -16.68 48.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.65 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -86.28 -60.08 2.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 22.1 tt0 -37.81 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -57.03 -56.12 25.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -52.72 26.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.935 HG21 HD12 ' A' ' 41' ' ' ILE . 47.6 t -48.93 -47.91 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -56.92 -47.26 81.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.0 mt -65.85 -62.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 3.3 tt0 -35.01 -41.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.237 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.25 -56.72 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.43 -51.69 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.601 1.188 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.6 t -50.25 -39.16 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -24.84 61.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -76.64 -2.67 33.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.7 mt -87.74 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' GLY . . . -69.38 59.22 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.83 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . -35.38 152.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.71 40.34 0.46 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.08 42.55 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 -84.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.83 HD11 ' HA3' ' A' ' 23' ' ' GLY . 3.0 pt -48.22 -25.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 1.5 tt0 -43.86 -20.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -104.77 -59.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -52.38 -50.89 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.666 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -50.21 -22.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -76.6 -67.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -51.18 -41.51 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.347 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.768 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.83 -29.91 65.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LYS . 2.0 mm-40 -78.54 -34.57 47.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.89 -15.52 44.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.82 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.72 -53.72 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.73 -33.15 46.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -25.08 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 18.9 mttt -80.24 -43.31 21.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.935 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 mt -62.63 -16.75 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.401 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.84 -55.25 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.51 -14.54 62.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.991 HD22 HG22 ' A' ' 50' ' ' VAL . 9.1 mt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.991 HG22 HD22 ' A' ' 44' ' ' LEU . 36.3 t -58.35 -32.53 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -37.84 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.09 -59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.92 -70.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.62 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.94 -33.8 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tp10 -72.01 -44.73 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -68.14 -22.93 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -56.11 12.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -46.79 -25.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.76 -72.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -36.61 -47.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -64.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -55.0 -47.43 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.916 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.7 mt -60.68 -37.84 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.9 mtpt -70.28 -19.0 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -27.66 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.59 ' HG2' HG21 ' A' ' 50' ' ' VAL . 2.3 mpt_? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.786 HG13 HG22 ' A' ' 41' ' ' ILE . 90.1 t -54.77 -41.12 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -58.19 -58.72 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.0 -15.23 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.44 -59.4 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.4 tt0 -37.98 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' LEU . 11.8 mt-10 -55.37 -61.77 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -64.62 -46.92 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 41' ' ' ILE . 50.5 t -54.33 -67.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -39.02 -47.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -48.17 81.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.764 HD13 HD22 ' A' ' 60' ' ' LEU . 5.1 mt -48.97 -40.48 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.0 tt0 -57.26 -52.92 63.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.0 -46.51 74.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -60.22 -61.15 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.5 t -45.06 -39.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -75.04 -39.53 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.3 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.111 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -47.71 151.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.94 -25.84 64.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 59.11 154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.13 51.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.14 -30.21 8.86 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.655 ' HB3' HD21 ' A' ' 67' ' ' LEU . 4.7 mpt_? -72.55 -84.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.111 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.2 pt -49.03 -24.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.4 tt0 -46.83 -22.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 110.373 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.35 -46.76 5.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -54.35 -56.63 16.63 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HG2' HG11 ' A' ' 18' ' ' VAL . 2.0 mtpt -45.21 -28.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 8.8 mtpt -70.95 -70.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.45 -38.12 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -60.49 -29.26 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -78.21 -34.75 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.94 -16.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.72 -57.67 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 5.0 ttmm -50.26 -31.37 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.74 -28.48 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.36 -51.43 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 11' ' ' VAL . 2.8 mt -59.77 -18.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.09 -55.15 5.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -7.21 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.971 HG22 HD22 ' A' ' 44' ' ' LEU . 44.6 t -77.01 -31.52 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' VAL . 17.4 mttt -36.76 -32.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' VAL . 8.5 mttt -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -42.14 -64.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.588 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.3 mt-10 -44.82 -51.04 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 19.4 tt0 -78.27 -41.65 33.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.821 HG12 ' OE2' ' A' ' 61' ' ' GLU . 36.0 t -68.89 -26.57 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -61.74 -52.87 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -41.92 -40.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD22 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.78 -71.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.821 ' OE2' HG12 ' A' ' 57' ' ' VAL . 1.3 mt-10 -37.85 -58.21 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -67.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -51.88 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.2 mt -53.93 -38.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 61' ' ' GLU . 26.6 ttmt -66.24 -23.67 66.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -28.13 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.978 HD13 HD13 ' A' ' 21' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 mpt_? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 41' ' ' ILE . 98.6 t -54.1 -44.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.19 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.22 -21.34 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 41' ' ' ILE . 1.7 mm? -85.84 -58.38 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -36.63 -32.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.1 tt0 -54.43 -61.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.656 1.223 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -52.9 22.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.907 HG21 HD12 ' A' ' 41' ' ' ILE . 62.1 t -46.64 -55.4 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -47.38 -51.81 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.93 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.546 HD13 HD22 ' A' ' 60' ' ' LEU . 8.7 mt -51.67 -48.26 63.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -49.29 -41.12 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -80.53 -55.66 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -51.95 -56.63 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 64' ' ' ILE . 54.8 t -47.79 -33.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -74.35 -36.4 63.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.3 -14.99 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.3 mt -75.07 122.06 22.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.78 -31.65 1.19 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.73 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 68.22 159.56 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 55.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -35.64 4.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.47 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.744 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.856 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.7 pt -48.63 -31.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.5 tt0 -39.48 -27.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.72 -53.82 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.228 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.069 HD13 HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.96 -52.07 59.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.03 -25.8 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.3 mtpp -75.62 -67.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.5 ptpp? -50.08 -40.31 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.1 -31.02 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -78.73 -32.84 46.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 -16.67 39.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.88 -55.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -54.08 -30.81 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -80.81 -43.21 20.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.907 HD12 HG21 ' A' ' 11' ' ' VAL . 2.3 mt -60.3 -21.06 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.43 -54.69 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.12 -6.44 54.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.024 HD22 HG22 ' A' ' 50' ' ' VAL . 5.1 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.024 HG22 HD22 ' A' ' 44' ' ' LEU . 25.9 t -56.74 -33.78 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' VAL . 9.8 mttm -37.74 -31.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.4 mmtt -75.3 -59.27 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.52 -70.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.99 -70.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.93 -31.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 tp10 -74.09 -45.76 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -66.74 -24.45 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' LEU . 3.5 tptt -67.41 -55.38 13.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -44.93 -25.95 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.069 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.72 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -37.67 -53.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.02 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tt0 -55.98 -54.01 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.844 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.8 mt -51.81 -38.93 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' GLU . 10.6 mmtp -67.08 -26.13 66.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -31.19 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.766 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.0 mpt_? . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 41' ' ' ILE . 88.1 t -55.42 -49.54 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -55.08 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.75 57.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.41 -65.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.377 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -36.44 -34.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.24 -51.87 60.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.27 -54.37 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.791 HG13 ' CZ3' ' A' ' 34' ' ' TRP . 57.0 t -46.45 -51.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 3.1 tptt -49.07 -54.0 17.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.26 94.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD13 HD22 ' A' ' 60' ' ' LEU . 4.8 mt -48.52 -36.87 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.6 tm-20 -65.28 -46.96 78.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -29.5 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 3.0 tttt -79.83 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.782 ' CG2' HD11 ' A' ' 64' ' ' ILE . 53.2 t -45.87 -34.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -77.87 -41.17 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.59 65.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.7 mt -55.08 133.42 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.49 -32.09 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.595 1.185 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.59 178.03 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.78 37.34 3.71 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 63.38 0.21 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.11 -79.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.986 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.7 pt -47.27 -33.61 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 13.3 tt0 -34.91 -61.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.3 -73.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -45.41 -40.95 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.7 mttm -58.01 -37.75 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.2 mttt -61.22 -49.73 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.3 mttp -69.99 -42.69 72.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -52.7 -27.43 17.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.35 -41.24 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -15.37 57.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.98 -57.13 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.3 ttmm -52.39 -31.54 34.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -62.69 -37.26 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.3 mttp -70.51 -48.6 54.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 11' ' ' VAL . 11.6 mt -55.95 -22.56 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.61 -53.57 11.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -10.54 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.781 HD22 HG22 ' A' ' 50' ' ' VAL . 6.2 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.781 HG22 HD22 ' A' ' 44' ' ' LEU . 44.3 t -76.83 -32.78 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 10.3 tttt -37.56 -31.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -72.92 -58.84 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.7 t -43.18 -67.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mm-40 -39.91 -67.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -31.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.4 tp10 -74.94 -47.84 27.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 37' ' ' LEU . 2.9 t -66.37 -25.56 35.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.54 -55.04 15.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -76.71 -71.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.4 mm-40 -35.45 -50.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.01 -69.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -50.98 -52.13 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt -51.39 -39.21 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.72 -25.58 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -38.02 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 64' ' ' ILE . 9.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.802 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 41' ' ' ILE . 98.1 t -55.53 -47.49 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.38 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.53 -21.55 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.78 -66.7 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 10.3 tt0 -36.11 -33.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -51.38 -59.38 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -56.09 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.893 HG21 HD12 ' A' ' 41' ' ' ILE . 66.3 t -43.5 -57.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.7 tppt? -44.2 -51.46 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.22 86.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.751 HD13 HD22 ' A' ' 60' ' ' LEU . 4.7 mt -50.1 -34.18 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 29.3 tt0 -67.42 -56.23 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.65 -25.29 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.0 mtmt -83.26 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.651 HG22 HD11 ' A' ' 64' ' ' ILE . 55.8 t -42.08 -35.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.49 -45.32 39.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.19 -43.18 74.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 67' ' ' LEU . 5.0 mt -44.52 125.23 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.63 -30.23 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.722 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.42 -170.59 2.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.94 34.99 7.91 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.32 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.3 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.722 HD11 ' HA3' ' A' ' 23' ' ' GLY . 5.4 pt -48.67 -24.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 3.4 tp10 -48.47 -23.21 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -42.9 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.686 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.28 -54.68 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' HG2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.46 -26.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 12.0 mtpt -69.57 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -54.23 -35.47 62.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.774 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -63.93 -26.08 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.96 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.99 -29.34 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.89 -58.63 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.9 ttmm -50.67 -29.5 11.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.2 -33.91 70.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 3.1 mtmt -72.02 -47.26 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 11' ' ' VAL . 4.7 mt -59.85 -16.06 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -54.06 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -12.09 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.867 HD22 HG22 ' A' ' 50' ' ' VAL . 7.8 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.867 HG22 HD22 ' A' ' 44' ' ' LEU . 42.8 t -45.63 -33.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -37.78 -31.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.06 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.1 t -40.52 -64.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -42.22 -64.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -28.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.8 tp10 -77.06 -43.99 32.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -69.84 -24.4 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -52.93 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -42.96 -34.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.899 HD23 HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -70.33 -73.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm-40 -35.12 -50.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.75 -68.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -53.56 -50.45 65.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.382 1.052 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -55.64 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 7.6 mttt -70.94 -17.8 62.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.36 60.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 21' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtp180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.717 HG13 HG22 ' A' ' 41' ' ' ILE . 45.9 t -54.7 -52.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.98 -20.3 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -86.26 -54.32 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' LEU . 25.0 tt0 -35.9 -34.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -55.34 -53.39 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tptt -66.73 -59.28 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 41' ' ' ILE . 13.5 t -45.63 -66.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -39.98 -51.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.13 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 60' ' ' LEU . 6.9 mt -55.95 -34.37 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.77 -65.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.6 tp10 -56.2 -41.48 75.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.15 -67.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.728 ' CG2' HD11 ' A' ' 64' ' ' ILE . 43.7 t -44.73 -38.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -72.85 -40.56 65.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -56.46 -47.88 78.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.018 HD12 HG22 ' A' ' 27' ' ' ILE . 4.2 mt -39.61 137.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.96 -22.63 12.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.612 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 47.35 -170.97 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.27 34.87 4.64 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.68 51.14 0.26 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -163.95 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.018 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -47.65 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.3 tt0 -37.07 -60.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.302 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.52 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -45.59 -41.52 10.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.896 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.6 -36.64 69.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -62.58 -45.46 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -73.61 -37.16 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.617 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.11 -25.15 63.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -34.74 44.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -33.13 22.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.65 -59.86 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' HD12 ' A' ' 37' ' ' LEU . 4.6 ttmm -50.35 -31.94 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.84 -29.23 66.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.1 tptt -74.84 -44.36 49.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 11' ' ' VAL . 2.7 mt -59.1 -16.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -55.26 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.957 HD22 HG22 ' A' ' 50' ' ' VAL . 7.2 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD22 ' A' ' 44' ' ' LEU . 21.0 t -52.71 -34.71 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.74 -31.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 2.8 mmtt -74.43 -58.81 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.3 -70.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -38.8 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -32.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.8 tp10 -74.16 -46.91 39.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -66.19 -24.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.36 -54.85 16.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.193 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -41.9 -31.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.58 -70.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.1 mm-40 -34.14 -64.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.09 -68.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 tp10 -50.56 -56.64 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.728 HD11 ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -47.8 -43.84 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.75 -30.12 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -86.56 -32.48 20.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 64' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.924 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.931 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.59 -30.78 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -68.51 -57.02 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.92 -11.72 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -85.75 -55.67 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LEU . 3.6 tt0 -37.58 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -58.99 -51.77 68.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.076 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.6 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 HD12 ' A' ' 41' ' ' ILE . 42.9 t -42.04 -60.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 7.1 tptt -45.18 -52.86 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.72 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 60' ' ' LEU . 10.3 mt -55.67 -36.69 67.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -58.12 -44.44 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 13.5 tt0 -74.62 -41.68 59.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 mmtt -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.752 ' CG2' HD11 ' A' ' 64' ' ' ILE . 55.0 t -44.89 -38.29 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -79.05 -35.06 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.38 -16.92 57.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.0 mt -73.3 137.87 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -45.12 -26.28 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.606 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 48.41 -178.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.62 -33.17 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.88 54.23 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.2 -73.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.1 pt -47.74 -32.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ILE . 3.8 tt0 -34.41 -58.04 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -53.64 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -45.86 -40.01 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.844 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.7 mtmt -58.78 -37.55 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.9 mttt -59.87 -51.87 67.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.3 -43.17 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.735 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -51.24 -25.23 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 107.945 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -37.15 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.11 -23.7 28.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.8 -59.51 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -50.94 -30.68 15.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -70.78 -26.56 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.01 -45.1 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.931 HG22 HG23 ' A' ' 4' ' ' VAL . 5.9 mt -62.14 -16.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.57 -53.24 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -10.39 59.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.028 HD22 HG22 ' A' ' 50' ' ' VAL . 6.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.028 HG22 HD22 ' A' ' 44' ' ' LEU . 41.0 t -57.6 -32.97 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.6 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.58 -58.42 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -41.35 -65.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -44.39 -66.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -29.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.7 tp10 -76.08 -49.26 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.5 t -64.78 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -66.07 -54.85 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -42.53 -35.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.813 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.54 -72.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -36.18 -56.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -64.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -56.75 -57.73 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.7 mt -45.45 -58.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -25.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -92.36 -40.33 10.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.745 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 ttp-105 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 41' ' ' ILE . 70.4 t -92.82 -66.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 7' ' ' LEU . 1.7 mtmt -49.37 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.98 -28.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -80.55 -56.22 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.627 1.204 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' LEU . 27.1 tt0 -36.69 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.0 mt-10 -53.79 -57.14 11.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -51.76 23.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.853 HG21 HD12 ' A' ' 41' ' ' ILE . 66.6 t -47.94 -53.79 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.08 -47.65 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.34 97.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.6 mt -53.29 -43.23 67.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 28.4 tt0 -56.51 -44.43 80.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.9 mt-10 -75.0 -47.93 26.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.1 -60.8 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.912 HG22 HD11 ' A' ' 64' ' ' ILE . 74.5 t -44.89 -43.24 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -36.79 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -58.61 -30.58 67.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.064 HD12 HG22 ' A' ' 27' ' ' ILE . 4.1 mt -59.69 141.5 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.406 1.067 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.55 -27.0 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.623 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 50.35 -171.64 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 37.86 4.41 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.62 54.25 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.08 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.064 HG22 HD12 ' A' ' 21' ' ' LEU . 1.6 pt -47.74 -34.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.3 tt0 -34.55 -61.87 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -45.55 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.7 pp -48.77 -41.15 31.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.3 mtpt -57.88 -30.86 66.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mtpt -66.09 -54.77 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' LEU . 14.8 mttt -67.41 -35.71 79.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.794 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -57.24 -26.65 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 107.965 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -36.33 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.78 -23.37 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.846 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.16 -57.66 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -52.34 -31.82 35.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mttt -81.19 -42.69 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.853 HD12 HG21 ' A' ' 11' ' ' VAL . 3.8 mt -64.88 -16.97 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -54.0 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.68 -6.18 49.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.03 HD22 HG22 ' A' ' 50' ' ' VAL . 5.4 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.03 HG22 HD22 ' A' ' 44' ' ' LEU . 27.4 t -58.34 -33.87 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 41.9 mttt -37.95 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mttp -75.58 -57.91 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -40.34 -69.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -42.88 -62.84 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.22 -32.12 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.2 tp10 -73.01 -44.99 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 t -68.15 -22.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -55.0 15.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -42.37 -33.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.599 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.86 -72.8 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -36.79 -43.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tp10 -54.75 -51.84 64.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.912 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -50.76 -49.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -56.76 -20.81 24.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -95.39 -35.35 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 64' ' ' ILE . 13.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.41 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.4 mtt85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.73 HG13 HG22 ' A' ' 41' ' ' ILE . 46.4 t -54.64 -52.27 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -67.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -20.37 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.748 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -80.46 -67.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -35.87 -34.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.72 -50.98 54.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -79.72 -57.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 41' ' ' ILE . 84.4 t -43.2 -45.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -55.23 -52.53 63.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.234 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.52 86.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -49.46 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -39.92 -42.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.5 -59.87 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.7 mtmm -50.97 -57.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 30' ' ' LEU . 43.7 t -45.17 -29.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.88 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.61 -23.19 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.051 HD12 HG22 ' A' ' 27' ' ' ILE . 3.3 mt -65.36 128.54 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.31 -31.17 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 52.92 175.17 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.92 44.44 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.5 52.23 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.45 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.52 -31.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 41.2 tt0 -36.84 -59.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.9 -73.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 18' ' ' VAL . 2.4 pp -46.05 -40.86 11.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.911 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -57.12 -37.25 71.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLU . 4.7 mtpt -60.7 -60.59 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 22.2 mttt -60.16 -33.81 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.83 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -61.47 -26.84 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.69 -36.65 43.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.6 -28.42 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.857 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.54 -59.71 2.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -50.04 -31.6 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -64.02 -38.49 91.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.55 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 11' ' ' VAL . 6.4 mt -57.26 -20.87 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -53.83 7.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -6.4 57.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 HG22 ' A' ' 50' ' ' VAL . 4.8 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.848 HG22 HD22 ' A' ' 44' ' ' LEU . 32.3 t -57.64 -33.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.7 -32.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.2 mttt -76.23 -57.77 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.3 t -40.62 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -42.36 -60.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -28.97 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.592 1.182 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' VAL . 6.7 tp10 -77.8 -44.56 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -69.34 -24.54 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -53.59 31.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -44.28 -31.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.716 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.94 -72.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.95 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -51.09 -50.57 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -55.03 -38.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -20.14 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.34 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HD13 ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HD2' HG21 ' A' ' 50' ' ' VAL . 5.7 mtt-85 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.011 HG23 HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -55.21 -40.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -59.75 -55.88 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.06 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -85.62 -59.69 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.0 tm-20 -36.23 -34.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -52.97 -56.29 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -56.28 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 41' ' ' ILE . 85.2 t -44.08 -50.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -50.58 -50.76 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.7 mt -50.34 -38.87 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 30.3 tt0 -61.15 -50.87 71.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -69.17 -39.4 78.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.38 -62.82 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.879 HG22 HD11 ' A' ' 64' ' ' ILE . 87.7 t -44.75 -33.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -39.14 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.72 -28.0 63.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.036 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.6 mt -62.59 123.81 19.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.28 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.898 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 58.69 -179.47 1.4 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 26.82 3.25 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.22 72.69 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER 176.17 -34.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.036 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.27 -36.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 33.5 tt0 -36.28 -61.74 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 9.2 tt0 -44.93 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.1 pp -48.62 -39.12 22.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 13.5 mtmt -60.84 -33.49 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.12 -57.72 8.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.9 mttt -62.42 -34.89 77.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.836 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.53 -28.65 67.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -33.73 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.74 -18.18 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.824 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.29 -56.85 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -51.5 -32.42 27.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -66.69 -29.35 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.3 -46.46 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.011 HG22 HG23 ' A' ' 4' ' ' VAL . 2.0 mt -58.5 -18.53 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -54.62 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -8.92 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.782 HD22 HG22 ' A' ' 50' ' ' VAL . 5.7 mt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG22 HD22 ' A' ' 44' ' ' LEU . 32.0 t -47.16 -33.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.86 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.08 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.63 -68.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.6 mm-40 -39.9 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -28.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.1 tp10 -77.61 -46.95 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.65 HG22 HD21 ' A' ' 37' ' ' LEU . 2.3 t -67.34 -22.94 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -54.91 12.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.54 -31.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -75.28 -71.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -67.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.8 tp10 -53.55 -55.27 27.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 18' ' ' VAL . 2.1 mt -49.04 -41.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -63.28 -31.11 72.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -84.18 -31.11 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 64' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.016 HG13 HG22 ' A' ' 41' ' ' ILE . 25.6 t -56.82 -51.2 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.74 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.78 -22.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.93 -63.77 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.7 tt0 -36.06 -38.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.593 1.183 . . . . 0.0 110.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -49.27 -50.29 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.83 -61.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 41' ' ' ILE . 62.7 t -41.4 -51.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -51.6 -51.7 53.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.48 88.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.4 mt -54.99 -59.65 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -40.09 -46.56 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -69.26 -53.81 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 6.7 mptt -56.27 -60.05 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD11 ' A' ' 30' ' ' LEU . 38.7 t -45.55 -26.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -85.42 -41.29 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.43 -26.16 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.045 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.3 mt -63.88 119.03 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.36 -29.23 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.87 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 61.09 -179.44 3.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.91 26.9 3.14 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.05 74.31 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.687 ' HD2' HD21 ' A' ' 67' ' ' LEU . 2.0 mmt180 174.77 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.793 . . . . 0.0 110.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.045 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.43 -30.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 tt0 -41.79 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -50.68 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 pp -45.46 -40.32 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.865 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.3 mttt -58.46 -40.08 81.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -58.17 -60.77 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.382 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.1 mttt -57.9 -37.01 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -60.04 -31.25 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.007 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -32.43 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.09 -18.08 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.838 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.64 -55.94 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -53.26 -31.05 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.69 -26.21 66.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 7.8 mmtm -80.39 -44.52 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.016 HG22 HG13 ' A' ' 4' ' ' VAL . 1.6 mt -61.28 -21.95 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.03 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.602 1.189 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.75 -6.2 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 50' ' ' VAL . 5.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 HD22 ' A' ' 44' ' ' LEU . 23.2 t -53.57 -33.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 60.7 mttt -37.75 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.4 mptt -73.96 -59.18 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -42.11 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -40.6 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -29.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' VAL . 4.2 tp10 -76.3 -42.38 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.622 HG22 ' CD2' ' A' ' 37' ' ' LEU . 2.1 t -70.47 -19.76 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' LEU . 2.0 tttt -71.93 -55.3 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -42.0 -30.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.4 -70.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' CE ' ' A' ' 10' ' ' LYS . 1.3 mm-40 -34.7 -52.16 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -69.12 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -51.3 -52.6 43.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.76 HD11 HG22 ' A' ' 18' ' ' VAL . 2.0 mt -53.12 -40.82 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -65.17 -24.16 67.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -32.07 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 21' ' ' LEU . 23.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.623 ' O ' HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -91.74 -41.28 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.815 ' HG2' HG11 ' A' ' 50' ' ' VAL . 2.5 mpt_? 69.36 -59.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.997 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.1 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -62.37 -59.71 4.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.35 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.638 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -85.62 -52.15 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.0 tt0 -36.59 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -68.19 -53.43 24.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . 4.5 tptm -59.17 -54.34 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD12 ' A' ' 41' ' ' ILE . 10.5 t -50.33 -57.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -35.94 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.56 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD13 ' CB ' ' A' ' 60' ' ' LEU . 3.8 mt -82.24 4.52 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -52.21 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.9 tt0 -68.45 -37.2 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.413 1.071 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.9 mtpt -71.1 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 HD11 ' A' ' 64' ' ' ILE . 55.9 t -44.67 -40.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -38.34 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' GLU . . . -57.05 -41.69 79.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 1.4 mt -48.74 123.22 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.92 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.563 1.164 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.919 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 60.83 -177.91 3.68 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.24 26.95 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.94 71.42 0.54 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.6 mtp180 177.46 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.267 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 pt -91.45 -35.86 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 tp10 -36.2 -58.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -47.21 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 31' ' ' LYS . 4.0 pp -48.57 -39.5 23.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.869 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -60.4 -33.43 72.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -62.5 -59.23 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.48 -36.46 80.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.3 -27.7 64.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.12 45.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.57 -14.48 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.931 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.53 -54.71 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -54.43 -33.81 60.18 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.584 1.177 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -69.44 -23.64 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.7 mttt -81.12 -42.47 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.997 HG22 HG23 ' A' ' 4' ' ' VAL . 1.7 mt -62.44 -17.13 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -54.43 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.75 -12.74 61.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.037 HD22 HG22 ' A' ' 50' ' ' VAL . 9.0 mt -43.48 99.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.07 -72.78 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.28 63.41 1.04 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.36 128.45 2.54 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.34 42.98 3.16 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -92.99 28.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.037 HG22 HD22 ' A' ' 44' ' ' LEU . 36.6 t -56.54 -32.51 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.58 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.6 mtmt -71.7 -59.07 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -43.4 -67.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -39.84 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -31.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.4 tp10 -72.96 -41.8 64.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.2 t -71.25 -18.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.68 -54.84 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -30.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.694 ' CB ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.74 -70.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.8 mm-40 -35.92 -54.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' OE1' HD23 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.94 -57.62 12.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.822 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -47.13 -47.34 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.69 -31.55 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -83.98 -32.68 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' ILE . 12.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -120.64 82.65 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.749 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.9 -57.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 41' ' ' ILE . 18.4 t -54.35 -65.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -59.31 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 -23.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -86.3 -56.76 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -37.43 -32.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.7 tt0 -54.38 -57.68 10.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.22 -54.48 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 41' ' ' ILE . 14.5 t -44.7 -56.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.21 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 64' ' ' ILE . 10.1 mt -61.64 -39.23 90.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -56.16 -44.97 79.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.6 -49.46 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.99 2.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 64' ' ' ILE . 59.9 t -45.08 -41.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -41.21 67.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.07 67.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' CG2' ' A' ' 27' ' ' ILE . 3.1 mt -50.66 135.07 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -48.96 -23.29 3.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 54.38 166.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.69 50.07 0.28 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.73 -46.97 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HB3' HD22 ' A' ' 67' ' ' LEU . 1.4 mmp_? -62.1 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.919 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.9 pt -48.58 -26.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.0 tm-20 -43.46 -24.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.18 -51.45 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 1.069 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.064 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -53.98 -52.13 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.72 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mtpt -71.9 -61.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -58.95 -40.54 85.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.644 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.39 -27.35 65.91 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -34.95 46.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.25 -18.0 35.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.88 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.44 -54.47 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.5 ttmm -53.07 -33.23 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -66.45 -24.72 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 5.1 mttt -81.29 -42.37 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 HD11 ' A' ' 37' ' ' LEU . 1.7 mt -63.4 -18.79 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -54.49 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -7.29 54.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.996 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt -41.65 102.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.97 160.04 11.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 42.7 54.33 4.99 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.87 -47.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.41 23.01 73.39 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -90.38 34.54 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.996 HG22 HD22 ' A' ' 44' ' ' LEU . 22.4 t -58.59 -33.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' VAL . 5.5 mptt -72.04 -59.02 2.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -43.91 -68.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.1 mt-10 -39.65 -69.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.19 -30.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.4 tp10 -76.39 -47.87 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 t -64.69 -27.42 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -55.04 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -44.55 -30.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.064 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.52 -71.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -36.16 -53.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -52.44 -54.98 25.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.0 mt -47.2 -56.21 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -49.87 -23.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -96.06 -29.75 13.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -100.61 78.66 2.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 0.726 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.878 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -148.08 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.989 HG13 HG22 ' A' ' 41' ' ' ILE . 44.6 t -94.48 -57.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -60.42 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.76 -21.78 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -86.25 -54.14 4.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.9 tt0 -35.73 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.23 -55.57 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -71.49 -47.33 56.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.689 HG12 ' CH2' ' A' ' 34' ' ' TRP . 4.7 t -52.86 -64.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 2.5 tttp -39.87 -52.22 2.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.97 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.229 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mt -51.93 -32.36 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 11.0 tt0 -65.53 -61.51 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -59.16 -36.35 75.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.39 -66.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 HD11 ' A' ' 64' ' ' ILE . 54.4 t -44.1 -26.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 17' ' ' LYS . 3.5 tttt -84.49 -43.29 14.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.21 -34.65 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 67' ' ' LEU . 3.2 mt -54.02 135.54 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.27 -21.83 9.18 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 57.01 165.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.46 43.37 0.23 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 -45.09 1.19 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.53 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.5 mtt180 -63.35 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.943 HG22 HD12 ' A' ' 21' ' ' LEU . 5.0 pt -51.64 -21.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 2.3 tp10 -52.27 -17.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.79 -35.73 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -62.08 -61.56 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 18' ' ' VAL . 1.4 mtpt -44.01 -31.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mttt -65.95 -69.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 5.0 mttp -54.92 -36.08 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.689 ' CH2' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -63.0 -32.53 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -34.33 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.99 -16.5 38.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.916 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.17 -54.64 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -51.32 -31.29 21.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -69.35 -24.2 63.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 24.7 mttm -81.37 -44.7 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.989 HG22 HG13 ' A' ' 4' ' ' VAL . 4.4 mt -62.9 -17.82 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 109.377 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -53.81 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -75.42 -6.23 48.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.031 ' CD2' HG22 ' A' ' 50' ' ' VAL . 5.6 mt -41.28 99.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 179.81 -93.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.86 81.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.41 -43.83 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.76 55.82 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.95 33.29 1.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 0.811 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.031 HG22 ' CD2' ' A' ' 44' ' ' LEU . 35.6 t -46.61 -33.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' VAL . 14.0 mttm -37.88 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.29 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 54' ' ' GLU . 2.2 t -41.31 -68.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mm-40 -41.75 -59.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -29.35 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.2 tp10 -76.7 -46.98 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.916 HG22 HD21 ' A' ' 37' ' ' LEU . 24.4 t -69.46 -19.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.42 -53.23 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -42.37 -34.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -68.85 -72.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.362 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -35.49 -54.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.19 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -55.98 -57.94 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -49.04 -37.27 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmpt? -66.1 -32.95 74.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.44 -32.35 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 179.48 -53.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.004 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.781 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -115.12 -60.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.763 HG13 HG22 ' A' ' 41' ' ' ILE . 43.7 t -53.91 -53.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -48.94 -64.1 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.78 -19.12 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.62 -65.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -36.49 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -53.48 -59.11 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -55.27 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.227 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD12 ' A' ' 41' ' ' ILE . 66.4 t -45.07 -49.58 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -52.85 -49.98 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.75 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 18' ' ' VAL . 10.4 mt -53.87 -47.36 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -50.62 -45.43 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -74.08 -57.52 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -50.97 -60.54 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 31' ' ' LYS . 76.4 t -44.41 -35.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -78.26 -41.19 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.79 -28.69 57.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.128 HD12 HG22 ' A' ' 27' ' ' ILE . 2.7 mt -62.16 133.12 54.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.27 -25.45 1.92 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 53.74 170.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.21 51.17 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.19 60.08 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -102.76 -77.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 0.748 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.128 HG22 HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -47.94 -37.93 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' ILE . 6.5 tt0 -31.45 -63.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -44.43 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.966 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -50.43 -39.5 47.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.966 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.87 -29.55 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.11 -52.47 48.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' LEU . 9.3 mttm -69.3 -35.32 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -56.61 -25.4 52.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -38.06 35.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.07 -23.77 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.32 -58.2 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.2 ttmm -51.82 -31.06 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -71.29 -28.84 64.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.84 -45.25 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.896 HD12 HG21 ' A' ' 11' ' ' VAL . 5.3 mt -61.49 -17.31 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -53.94 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -7.59 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.951 HD22 HG22 ' A' ' 50' ' ' VAL . 6.3 mt -41.7 105.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 173.7 147.85 6.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.67 -73.08 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -43.15 -42.06 5.14 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.06 26.06 48.01 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.89 34.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 0.806 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.951 HG22 HD22 ' A' ' 44' ' ' LEU . 38.4 t -47.2 -33.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.29 -32.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.0 -59.12 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -41.48 -64.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mm-40 -41.6 -64.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -29.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.7 tp10 -77.64 -46.71 21.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -67.67 -23.3 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -54.24 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.09 -35.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.07 -74.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -35.56 -41.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -68.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -52.56 -50.81 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -52.34 -39.26 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -22.72 65.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.237 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -93.28 -31.64 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 64' ' ' ILE . 20.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.62 68.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.749 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -146.9 -58.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.731 HG13 HG22 ' A' ' 41' ' ' ILE . 85.0 t -83.15 -62.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.96 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.4 -27.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -81.74 -57.25 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -36.81 -33.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -54.15 -56.59 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -52.09 28.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.798 HG21 HD12 ' A' ' 41' ' ' ILE . 19.7 t -47.49 -56.03 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -49.61 -46.09 48.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.14 93.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mt -58.72 -50.8 72.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.589 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 32.1 tt0 -47.93 -51.84 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.07 -55.12 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.86 -61.4 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.859 HG13 HD11 ' A' ' 30' ' ' LEU . 50.8 t -44.23 -34.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -77.88 -41.17 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.209 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -56.28 -25.73 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.04 HD12 HG22 ' A' ' 27' ' ' ILE . 4.9 mt -65.24 131.95 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.12 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.01 -174.18 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.92 -30.77 5.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.14 43.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -69.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.04 HG22 HD12 ' A' ' 21' ' ' LEU . 1.1 pt -48.25 -32.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.9 tt0 -35.32 -61.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -46.35 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -47.18 -40.74 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.944 ' N ' HD12 ' A' ' 30' ' ' LEU . 4.4 mtpt -58.37 -38.67 77.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.1 mtpt -58.07 -57.15 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 17.7 mttt -63.99 -37.54 87.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.654 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.96 -29.35 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.168 . . . . 0.0 107.987 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.61 -35.8 45.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.43 -14.69 48.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -85.5 -53.41 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -55.38 -34.03 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -23.62 65.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 6.4 mptt -82.3 -43.43 17.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 37' ' ' LEU . 2.2 mt -61.44 -19.0 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.52 -53.42 7.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.53 -5.06 48.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.007 HD22 HG22 ' A' ' 50' ' ' VAL . 5.2 mt -41.28 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.94 167.21 24.08 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.37 48.77 2.24 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.08 -42.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.71 26.68 67.15 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -90.58 34.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.007 HG22 HD22 ' A' ' 44' ' ' LEU . 24.8 t -57.65 -33.54 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -37.95 -31.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' VAL . 6.4 mmtt -74.39 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.6 t -41.39 -71.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -38.13 -70.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -42.86 -32.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 tp10 -73.62 -44.46 56.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -68.27 -25.08 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -54.38 22.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -42.76 -33.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.2 -72.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.53 -51.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -69.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -51.12 -49.58 60.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 18' ' ' VAL . 2.6 mt -56.65 -37.9 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -20.82 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -30.55 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 21' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 71.31 -61.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.727 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.605 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -98.04 -61.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 41' ' ' ILE . 85.3 t -57.4 -51.75 65.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.79 -54.92 31.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.35 -16.68 48.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.65 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -86.28 -60.08 2.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 22.1 tt0 -37.81 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -57.03 -56.12 25.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -52.72 26.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.935 HG21 HD12 ' A' ' 41' ' ' ILE . 47.6 t -48.93 -47.91 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -56.92 -47.26 81.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.0 mt -65.85 -62.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 3.3 tt0 -35.01 -41.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.237 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.25 -56.72 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.43 -51.69 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.601 1.188 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.6 t -50.25 -39.16 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -24.84 61.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -76.64 -2.67 33.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.7 mt -87.74 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' GLY . . . -69.38 59.22 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.83 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . -35.38 152.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.71 40.34 0.46 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.08 42.55 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 -84.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.83 HD11 ' HA3' ' A' ' 23' ' ' GLY . 3.0 pt -48.22 -25.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 1.5 tt0 -43.86 -20.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -104.77 -59.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -52.38 -50.89 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.666 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -50.21 -22.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -76.6 -67.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -51.18 -41.51 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.347 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.768 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.83 -29.91 65.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LYS . 2.0 mm-40 -78.54 -34.57 47.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.89 -15.52 44.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.82 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.72 -53.72 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.73 -33.15 46.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -25.08 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 18.9 mttt -80.24 -43.31 21.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.935 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 mt -62.63 -16.75 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.401 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.84 -55.25 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.9 tt0 -69.51 -14.54 62.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.991 HD22 HG22 ' A' ' 50' ' ' VAL . 9.1 mt -43.3 99.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -160.97 -111.29 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.9 -57.09 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.79 115.46 4.14 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.6 44.51 3.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -94.38 36.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.991 HG22 HD22 ' A' ' 44' ' ' LEU . 36.3 t -58.35 -32.53 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -37.84 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.09 -59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.92 -70.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.62 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.94 -33.8 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tp10 -72.01 -44.73 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -68.14 -22.93 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -56.11 12.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -46.79 -25.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.76 -72.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -36.61 -47.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -64.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -55.0 -47.43 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.916 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.7 mt -60.68 -37.84 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.9 mtpt -70.28 -19.0 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -27.66 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -154.83 -54.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.076 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.59 ' HG2' HG21 ' A' ' 50' ' ' VAL . 2.3 mpt_? 70.16 -63.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.786 HG13 HG22 ' A' ' 41' ' ' ILE . 90.1 t -54.77 -41.12 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -58.19 -58.72 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.0 -15.23 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.44 -59.4 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.4 tt0 -37.98 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' LEU . 11.8 mt-10 -55.37 -61.77 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -64.62 -46.92 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 41' ' ' ILE . 50.5 t -54.33 -67.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -39.02 -47.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -48.17 81.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.764 HD13 HD22 ' A' ' 60' ' ' LEU . 5.1 mt -48.97 -40.48 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.0 tt0 -57.26 -52.92 63.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.0 -46.51 74.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -60.22 -61.15 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.5 t -45.06 -39.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -75.04 -39.53 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.3 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.111 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -47.71 151.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.94 -25.84 64.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 59.11 154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.13 51.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.14 -30.21 8.86 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.655 ' HB3' HD21 ' A' ' 67' ' ' LEU . 4.7 mpt_? -72.55 -84.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.111 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.2 pt -49.03 -24.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.4 tt0 -46.83 -22.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 110.373 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.35 -46.76 5.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -54.35 -56.63 16.63 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HG2' HG11 ' A' ' 18' ' ' VAL . 2.0 mtpt -45.21 -28.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 8.8 mtpt -70.95 -70.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.45 -38.12 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -60.49 -29.26 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -78.21 -34.75 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.94 -16.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.72 -57.67 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 5.0 ttmm -50.26 -31.37 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.74 -28.48 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.36 -51.43 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 11' ' ' VAL . 2.8 mt -59.77 -18.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.09 -55.15 5.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -7.21 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt -41.38 105.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.0 -175.46 47.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.43 52.11 1.79 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.72 138.04 3.58 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.95 45.53 3.21 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -89.29 39.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.971 HG22 HD22 ' A' ' 44' ' ' LEU . 44.6 t -77.01 -31.52 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' VAL . 17.4 mttt -36.76 -32.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' VAL . 8.5 mttt -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -42.14 -64.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.588 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.3 mt-10 -44.82 -51.04 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 19.4 tt0 -78.27 -41.65 33.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.821 HG12 ' OE2' ' A' ' 61' ' ' GLU . 36.0 t -68.89 -26.57 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -61.74 -52.87 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -41.92 -40.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD22 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.78 -71.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.821 ' OE2' HG12 ' A' ' 57' ' ' VAL . 1.3 mt-10 -37.85 -58.21 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -67.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -51.88 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.2 mt -53.93 -38.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 61' ' ' GLU . 26.6 ttmt -66.24 -23.67 66.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -28.13 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.978 HD13 HD13 ' A' ' 21' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -138.3 55.82 1.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 0.769 . . . . 0.0 109.929 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 mpt_? 66.22 -68.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 41' ' ' ILE . 98.6 t -54.1 -44.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.19 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.22 -21.34 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 41' ' ' ILE . 1.7 mm? -85.84 -58.38 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -36.63 -32.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.1 tt0 -54.43 -61.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.656 1.223 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -52.9 22.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.907 HG21 HD12 ' A' ' 41' ' ' ILE . 62.1 t -46.64 -55.4 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -47.38 -51.81 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.93 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD13 HD22 ' A' ' 60' ' ' LEU . 8.7 mt -51.67 -48.26 63.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -49.29 -41.12 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -80.53 -55.66 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -51.95 -56.63 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 64' ' ' ILE . 54.8 t -47.79 -33.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -74.35 -36.4 63.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.3 -14.99 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.3 mt -75.07 122.06 22.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.78 -31.65 1.19 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.73 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 68.22 159.56 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 55.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -35.64 4.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.47 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.744 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.856 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.7 pt -48.63 -31.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.5 tt0 -39.48 -27.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.72 -53.82 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.228 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.069 HD13 HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.96 -52.07 59.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.03 -25.8 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.3 mtpp -75.62 -67.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.5 ptpp? -50.08 -40.31 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.1 -31.02 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -78.73 -32.84 46.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 -16.67 39.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.88 -55.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -54.08 -30.81 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -80.81 -43.21 20.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.907 HD12 HG21 ' A' ' 11' ' ' VAL . 2.3 mt -60.3 -21.06 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.43 -54.69 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.12 -6.44 54.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.024 HD22 HG22 ' A' ' 50' ' ' VAL . 5.1 mt -41.21 106.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.58 151.92 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.07 -71.89 0.94 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.18 75.71 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.46 26.55 66.56 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.12 39.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.024 HG22 HD22 ' A' ' 44' ' ' LEU . 25.9 t -56.74 -33.78 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' VAL . 9.8 mttm -37.74 -31.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.4 mmtt -75.3 -59.27 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.52 -70.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.99 -70.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.93 -31.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 tp10 -74.09 -45.76 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -66.74 -24.45 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' LEU . 3.5 tptt -67.41 -55.38 13.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -44.93 -25.95 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.069 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.72 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -37.67 -53.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.02 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tt0 -55.98 -54.01 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.844 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.8 mt -51.81 -38.93 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' GLU . 10.6 mmtp -67.08 -26.13 66.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -31.19 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -85.17 89.38 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.012 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.766 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.0 mpt_? -122.72 -60.91 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 41' ' ' ILE . 88.1 t -55.42 -49.54 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -55.08 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.75 57.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.41 -65.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.377 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -36.44 -34.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.24 -51.87 60.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.27 -54.37 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.791 HG13 ' CZ3' ' A' ' 34' ' ' TRP . 57.0 t -46.45 -51.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 3.1 tptt -49.07 -54.0 17.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.26 94.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD13 HD22 ' A' ' 60' ' ' LEU . 4.8 mt -48.52 -36.87 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.6 tm-20 -65.28 -46.96 78.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -29.5 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 3.0 tttt -79.83 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.782 ' CG2' HD11 ' A' ' 64' ' ' ILE . 53.2 t -45.87 -34.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -77.87 -41.17 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.59 65.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.7 mt -55.08 133.42 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.49 -32.09 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.595 1.185 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.59 178.03 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.78 37.34 3.71 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 63.38 0.21 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.11 -79.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.986 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.7 pt -47.27 -33.61 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 13.3 tt0 -34.91 -61.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.3 -73.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -45.41 -40.95 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.7 mttm -58.01 -37.75 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.2 mttt -61.22 -49.73 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.3 mttp -69.99 -42.69 72.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -52.7 -27.43 17.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.35 -41.24 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -15.37 57.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.98 -57.13 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.3 ttmm -52.39 -31.54 34.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -62.69 -37.26 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.3 mttp -70.51 -48.6 54.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 11' ' ' VAL . 11.6 mt -55.95 -22.56 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.61 -53.57 11.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -80.92 -10.54 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.781 HD22 HG22 ' A' ' 50' ' ' VAL . 6.2 mt -41.01 97.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -155.86 166.66 33.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 39.27 -99.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.06 126.4 1.97 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.87 46.91 3.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.594 0.82 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.32 38.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.781 HG22 HD22 ' A' ' 44' ' ' LEU . 44.3 t -76.83 -32.78 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 10.3 tttt -37.56 -31.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -72.92 -58.84 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.7 t -43.18 -67.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mm-40 -39.91 -67.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -31.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.4 tp10 -74.94 -47.84 27.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 37' ' ' LEU . 2.9 t -66.37 -25.56 35.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.54 -55.04 15.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -76.71 -71.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.4 mm-40 -35.45 -50.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.01 -69.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -50.98 -52.13 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt -51.39 -39.21 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.72 -25.58 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -38.02 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 64' ' ' ILE . 9.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -152.06 -64.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.802 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -87.81 -51.88 5.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 41' ' ' ILE . 98.1 t -55.53 -47.49 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.38 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.53 -21.55 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.78 -66.7 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 10.3 tt0 -36.11 -33.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -51.38 -59.38 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -56.09 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.893 HG21 HD12 ' A' ' 41' ' ' ILE . 66.3 t -43.5 -57.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.7 tppt? -44.2 -51.46 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.22 86.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.751 HD13 HD22 ' A' ' 60' ' ' LEU . 4.7 mt -50.1 -34.18 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 29.3 tt0 -67.42 -56.23 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.65 -25.29 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.0 mtmt -83.26 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.651 HG22 HD11 ' A' ' 64' ' ' ILE . 55.8 t -42.08 -35.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.49 -45.32 39.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.19 -43.18 74.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 67' ' ' LEU . 5.0 mt -44.52 125.23 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.63 -30.23 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.722 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.42 -170.59 2.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.94 34.99 7.91 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.32 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.3 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.722 HD11 ' HA3' ' A' ' 23' ' ' GLY . 5.4 pt -48.67 -24.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 3.4 tp10 -48.47 -23.21 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -42.9 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.686 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.28 -54.68 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' HG2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.46 -26.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 12.0 mtpt -69.57 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -54.23 -35.47 62.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.774 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -63.93 -26.08 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.96 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.99 -29.34 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.89 -58.63 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.9 ttmm -50.67 -29.5 11.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.2 -33.91 70.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 3.1 mtmt -72.02 -47.26 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 11' ' ' VAL . 4.7 mt -59.85 -16.06 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -54.06 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -71.92 -12.09 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.867 HD22 HG22 ' A' ' 50' ' ' VAL . 7.8 mt -41.82 97.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -161.35 -107.63 0.22 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.451 1.095 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.72 -58.5 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.11 107.22 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 43.6 3.26 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.1 33.58 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.867 HG22 HD22 ' A' ' 44' ' ' LEU . 42.8 t -45.63 -33.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -37.78 -31.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.06 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.1 t -40.52 -64.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -42.22 -64.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -28.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.8 tp10 -77.06 -43.99 32.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -69.84 -24.4 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -52.93 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -42.96 -34.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.899 HD23 HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -70.33 -73.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm-40 -35.12 -50.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.75 -68.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -53.56 -50.45 65.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.382 1.052 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -55.64 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 7.6 mttt -70.94 -17.8 62.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.36 60.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 21' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -63.94 91.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtp180 -179.74 -71.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.717 HG13 HG22 ' A' ' 41' ' ' ILE . 45.9 t -54.7 -52.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.98 -20.3 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -86.26 -54.32 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' LEU . 25.0 tt0 -35.9 -34.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -55.34 -53.39 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tptt -66.73 -59.28 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 41' ' ' ILE . 13.5 t -45.63 -66.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -39.98 -51.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.13 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 60' ' ' LEU . 6.9 mt -55.95 -34.37 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.77 -65.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.6 tp10 -56.2 -41.48 75.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.15 -67.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.728 ' CG2' HD11 ' A' ' 64' ' ' ILE . 43.7 t -44.73 -38.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -72.85 -40.56 65.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -56.46 -47.88 78.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.018 HD12 HG22 ' A' ' 27' ' ' ILE . 4.2 mt -39.61 137.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.96 -22.63 12.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.612 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 47.35 -170.97 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.27 34.87 4.64 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.68 51.14 0.26 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -163.95 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.018 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -47.65 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.3 tt0 -37.07 -60.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.302 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.52 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -45.59 -41.52 10.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.896 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.6 -36.64 69.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -62.58 -45.46 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -73.61 -37.16 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.617 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.11 -25.15 63.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -34.74 44.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -33.13 22.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.65 -59.86 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' HD12 ' A' ' 37' ' ' LEU . 4.6 ttmm -50.35 -31.94 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.84 -29.23 66.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.1 tptt -74.84 -44.36 49.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 11' ' ' VAL . 2.7 mt -59.1 -16.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -55.26 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.3 tm-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.957 HD22 HG22 ' A' ' 50' ' ' VAL . 7.2 mt -42.12 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 175.04 141.77 3.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.4 -68.78 0.38 Allowed Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.51 -43.58 10.81 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.03 28.19 63.43 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.62 37.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD22 ' A' ' 44' ' ' LEU . 21.0 t -52.71 -34.71 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.74 -31.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 2.8 mmtt -74.43 -58.81 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.3 -70.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -38.8 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -32.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.8 tp10 -74.16 -46.91 39.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -66.19 -24.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.36 -54.85 16.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.193 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -41.9 -31.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.58 -70.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.1 mm-40 -34.14 -64.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.09 -68.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 tp10 -50.56 -56.64 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.728 HD11 ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -47.8 -43.84 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.75 -30.12 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -86.56 -32.48 20.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 64' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.589 ' N ' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -75.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.924 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -149.92 -83.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.931 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.59 -30.78 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -68.51 -57.02 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB2' ' N ' ' A' ' 1' ' ' GLY . . . -65.92 -11.72 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -85.75 -55.67 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LEU . 3.6 tt0 -37.58 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -58.99 -51.77 68.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.076 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.6 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 HD12 ' A' ' 41' ' ' ILE . 42.9 t -42.04 -60.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 7.1 tptt -45.18 -52.86 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.72 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 60' ' ' LEU . 10.3 mt -55.67 -36.69 67.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -58.12 -44.44 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 13.5 tt0 -74.62 -41.68 59.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 mmtt -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.752 ' CG2' HD11 ' A' ' 64' ' ' ILE . 55.0 t -44.89 -38.29 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -79.05 -35.06 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.38 -16.92 57.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.0 mt -73.3 137.87 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -45.12 -26.28 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.606 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 48.41 -178.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.62 -33.17 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.88 54.23 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.2 -73.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.1 pt -47.74 -32.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ILE . 3.8 tt0 -34.41 -58.04 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -53.64 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -45.86 -40.01 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.844 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.7 mtmt -58.78 -37.55 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.9 mttt -59.87 -51.87 67.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.3 -43.17 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.735 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -51.24 -25.23 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 107.945 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -37.15 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.11 -23.7 28.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.8 -59.51 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -50.94 -30.68 15.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -70.78 -26.56 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.01 -45.1 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.931 HG22 HG23 ' A' ' 4' ' ' VAL . 5.9 mt -62.14 -16.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.57 -53.24 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -74.94 -10.39 59.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.028 HD22 HG22 ' A' ' 50' ' ' VAL . 6.6 mt -42.2 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 175.31 -70.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.06 61.36 0.38 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 137.14 127.42 2.6 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.58 46.09 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 0.806 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -95.12 30.26 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.028 HG22 HD22 ' A' ' 44' ' ' LEU . 41.0 t -57.6 -32.97 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.6 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.58 -58.42 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -41.35 -65.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -44.39 -66.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -29.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.7 tp10 -76.08 -49.26 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.5 t -64.78 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -66.07 -54.85 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -42.53 -35.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.813 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.54 -72.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -36.18 -56.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -64.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -56.75 -57.73 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.7 mt -45.45 -58.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -25.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -92.36 -40.33 10.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 2.7 t 169.12 138.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.745 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 ttp-105 76.32 -70.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 41' ' ' ILE . 70.4 t -92.82 -66.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 1' ' ' GLY . 1.7 mtmt -49.37 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 2' ' ' SER . . . -41.98 -28.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -80.55 -56.22 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.627 1.204 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' LEU . 27.1 tt0 -36.69 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.0 mt-10 -53.79 -57.14 11.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -51.76 23.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.853 HG21 HD12 ' A' ' 41' ' ' ILE . 66.6 t -47.94 -53.79 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.08 -47.65 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.34 97.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.6 mt -53.29 -43.23 67.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 28.4 tt0 -56.51 -44.43 80.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.9 mt-10 -75.0 -47.93 26.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.1 -60.8 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.912 HG22 HD11 ' A' ' 64' ' ' ILE . 74.5 t -44.89 -43.24 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -36.79 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -58.61 -30.58 67.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.064 HD12 HG22 ' A' ' 27' ' ' ILE . 4.1 mt -59.69 141.5 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.406 1.067 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.55 -27.0 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.623 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 50.35 -171.64 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 37.86 4.41 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.62 54.25 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.08 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.064 HG22 HD12 ' A' ' 21' ' ' LEU . 1.6 pt -47.74 -34.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.3 tt0 -34.55 -61.87 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -45.55 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.7 pp -48.77 -41.15 31.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.3 mtpt -57.88 -30.86 66.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mtpt -66.09 -54.77 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' LEU . 14.8 mttt -67.41 -35.71 79.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.794 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -57.24 -26.65 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 107.965 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -36.33 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.78 -23.37 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.846 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.16 -57.66 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -52.34 -31.82 35.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mttt -81.19 -42.69 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.853 HD12 HG21 ' A' ' 11' ' ' VAL . 3.8 mt -64.88 -16.97 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -54.0 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.68 -6.18 49.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.03 HD22 HG22 ' A' ' 50' ' ' VAL . 5.4 mt -41.18 107.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.04 147.82 5.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.68 -80.59 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.27 -43.62 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.1 23.99 68.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -90.94 40.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.03 HG22 HD22 ' A' ' 44' ' ' LEU . 27.4 t -58.34 -33.87 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 41.9 mttt -37.95 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mttp -75.58 -57.91 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -40.34 -69.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -42.88 -62.84 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.22 -32.12 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.2 tp10 -73.01 -44.99 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 t -68.15 -22.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -55.0 15.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -42.37 -33.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.86 -72.8 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -36.79 -43.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tp10 -54.75 -51.84 64.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.912 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -50.76 -49.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -56.76 -20.81 24.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -95.39 -35.35 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 64' ' ' ILE . 13.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.86 73.89 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 0.753 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.41 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.4 mtt85 -137.21 -62.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.73 HG13 HG22 ' A' ' 41' ' ' ILE . 46.4 t -54.64 -52.27 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -67.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -20.37 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.748 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -80.46 -67.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -35.87 -34.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.72 -50.98 54.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -79.72 -57.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 41' ' ' ILE . 84.4 t -43.2 -45.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -55.23 -52.53 63.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.234 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.52 86.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -49.46 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -39.92 -42.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.5 -59.87 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.7 mtmm -50.97 -57.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 30' ' ' LEU . 43.7 t -45.17 -29.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.88 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.61 -23.19 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.051 HD12 HG22 ' A' ' 27' ' ' ILE . 3.3 mt -65.36 128.54 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.31 -31.17 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 52.92 175.17 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.92 44.44 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.5 52.23 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.45 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.52 -31.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 41.2 tt0 -36.84 -59.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.9 -73.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 18' ' ' VAL . 2.4 pp -46.05 -40.86 11.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.911 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -57.12 -37.25 71.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLU . 4.7 mtpt -60.7 -60.59 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 22.2 mttt -60.16 -33.81 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.83 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -61.47 -26.84 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.69 -36.65 43.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.6 -28.42 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.857 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.54 -59.71 2.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -50.04 -31.6 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -64.02 -38.49 91.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.55 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 11' ' ' VAL . 6.4 mt -57.26 -20.87 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -53.83 7.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -80.15 -6.4 57.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 HG22 ' A' ' 50' ' ' VAL . 4.8 mt -41.38 -28.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . -39.87 -54.29 2.99 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 115.5 5.31 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.63 136.76 8.39 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.73 41.4 2.14 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.09 33.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.848 HG22 HD22 ' A' ' 44' ' ' LEU . 32.3 t -57.64 -33.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.7 -32.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.2 mttt -76.23 -57.77 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.3 t -40.62 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -42.36 -60.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -28.97 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.592 1.182 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' VAL . 6.7 tp10 -77.8 -44.56 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -69.34 -24.54 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -53.59 31.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -44.28 -31.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.716 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.94 -72.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.95 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -51.09 -50.57 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -55.03 -38.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -20.14 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.34 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HD13 ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -142.74 56.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.754 . . . . 0.0 110.068 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HD2' HG21 ' A' ' 50' ' ' VAL . 5.7 mtt-85 -150.33 -69.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.011 HG23 HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -55.21 -40.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -59.75 -55.88 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.06 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -85.62 -59.69 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.0 tm-20 -36.23 -34.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -52.97 -56.29 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -56.28 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 41' ' ' ILE . 85.2 t -44.08 -50.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -50.58 -50.76 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.7 mt -50.34 -38.87 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 30.3 tt0 -61.15 -50.87 71.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -69.17 -39.4 78.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.38 -62.82 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.879 HG22 HD11 ' A' ' 64' ' ' ILE . 87.7 t -44.75 -33.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -39.14 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.72 -28.0 63.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.036 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.6 mt -62.59 123.81 19.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.28 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.898 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 58.69 -179.47 1.4 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 26.82 3.25 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.22 72.69 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER 176.17 -34.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.036 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.27 -36.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 33.5 tt0 -36.28 -61.74 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 9.2 tt0 -44.93 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.1 pp -48.62 -39.12 22.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 13.5 mtmt -60.84 -33.49 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.12 -57.72 8.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.9 mttt -62.42 -34.89 77.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.836 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.53 -28.65 67.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -33.73 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.74 -18.18 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.824 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.29 -56.85 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -51.5 -32.42 27.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -66.69 -29.35 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.3 -46.46 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.011 HG22 HG23 ' A' ' 4' ' ' VAL . 2.0 mt -58.5 -18.53 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -54.62 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -8.92 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.782 HD22 HG22 ' A' ' 50' ' ' VAL . 5.7 mt -41.31 105.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -119.37 0.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.1 -54.73 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.68 2.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.97 20.48 8.45 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.19 36.35 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 0.706 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG22 HD22 ' A' ' 44' ' ' LEU . 32.0 t -47.16 -33.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.86 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.08 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.63 -68.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.6 mm-40 -39.9 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -28.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.1 tp10 -77.61 -46.95 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.65 HG22 HD21 ' A' ' 37' ' ' LEU . 2.3 t -67.34 -22.94 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -54.91 12.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.54 -31.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -75.28 -71.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -67.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.8 tp10 -53.55 -55.27 27.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 18' ' ' VAL . 2.1 mt -49.04 -41.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -63.28 -31.11 72.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -84.18 -31.11 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 64' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' VAL . 38.8 t -130.17 4.2 4.81 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 2' ' ' SER . 6.7 mtt-85 65.18 -69.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.016 HG13 HG22 ' A' ' 41' ' ' ILE . 25.6 t -56.82 -51.2 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.74 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.78 -22.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.93 -63.77 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.7 tt0 -36.06 -38.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.593 1.183 . . . . 0.0 110.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -49.27 -50.29 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.83 -61.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 41' ' ' ILE . 62.7 t -41.4 -51.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -51.6 -51.7 53.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.48 88.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.4 mt -54.99 -59.65 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -40.09 -46.56 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -69.26 -53.81 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 6.7 mptt -56.27 -60.05 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD11 ' A' ' 30' ' ' LEU . 38.7 t -45.55 -26.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -85.42 -41.29 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.43 -26.16 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.045 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.3 mt -63.88 119.03 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.36 -29.23 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.87 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 61.09 -179.44 3.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.91 26.9 3.14 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.05 74.31 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.687 ' HD2' HD21 ' A' ' 67' ' ' LEU . 2.0 mmt180 174.77 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.793 . . . . 0.0 110.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.045 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.43 -30.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 tt0 -41.79 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -50.68 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 pp -45.46 -40.32 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.865 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.3 mttt -58.46 -40.08 81.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -58.17 -60.77 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.382 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.1 mttt -57.9 -37.01 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -60.04 -31.25 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.007 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -32.43 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.09 -18.08 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.838 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.64 -55.94 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -53.26 -31.05 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.69 -26.21 66.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 7.8 mmtm -80.39 -44.52 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.016 HG22 HG13 ' A' ' 4' ' ' VAL . 1.6 mt -61.28 -21.95 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.03 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.602 1.189 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.75 -6.2 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 50' ' ' VAL . 5.0 mt -41.66 109.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.98 158.14 9.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.51 57.08 6.8 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.78 -42.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.36 26.09 65.77 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -91.29 29.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 HD22 ' A' ' 44' ' ' LEU . 23.2 t -53.57 -33.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 60.7 mttt -37.75 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.4 mptt -73.96 -59.18 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -42.11 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -40.6 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -29.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' VAL . 4.2 tp10 -76.3 -42.38 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.622 HG22 ' CD2' ' A' ' 37' ' ' LEU . 2.1 t -70.47 -19.76 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' LEU . 2.0 tttt -71.93 -55.3 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -42.0 -30.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.4 -70.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' CE ' ' A' ' 10' ' ' LYS . 1.3 mm-40 -34.7 -52.16 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -69.12 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -51.3 -52.6 43.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.76 HD11 HG22 ' A' ' 18' ' ' VAL . 2.0 mt -53.12 -40.82 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -65.17 -24.16 67.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -32.07 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 21' ' ' LEU . 23.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.815 ' HG2' HG11 ' A' ' 50' ' ' VAL . 2.5 mpt_? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.997 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.1 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -62.37 -59.71 4.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.35 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.638 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -85.62 -52.15 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.0 tt0 -36.59 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -68.19 -53.43 24.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . 4.5 tptm -59.17 -54.34 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD12 ' A' ' 41' ' ' ILE . 10.5 t -50.33 -57.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -35.94 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.56 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD13 ' CB ' ' A' ' 60' ' ' LEU . 3.8 mt -82.24 4.52 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -52.21 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.9 tt0 -68.45 -37.2 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.413 1.071 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.9 mtpt -71.1 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 HD11 ' A' ' 64' ' ' ILE . 55.9 t -44.67 -40.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -38.34 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' GLU . . . -57.05 -41.69 79.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 1.4 mt -48.74 123.22 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.92 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.563 1.164 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.919 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 60.83 -177.91 3.68 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.24 26.95 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.94 71.42 0.54 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.6 mtp180 177.46 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.267 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 pt -91.45 -35.86 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 tp10 -36.2 -58.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -47.21 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 31' ' ' LYS . 4.0 pp -48.57 -39.5 23.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.869 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -60.4 -33.43 72.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -62.5 -59.23 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.48 -36.46 80.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.3 -27.7 64.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.12 45.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.57 -14.48 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.931 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.53 -54.71 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -54.43 -33.81 60.18 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.584 1.177 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -69.44 -23.64 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.7 mttt -81.12 -42.47 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.997 HG22 HG23 ' A' ' 4' ' ' VAL . 1.7 mt -62.44 -17.13 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -54.43 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.75 -12.74 61.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.037 HD22 HG22 ' A' ' 50' ' ' VAL . 9.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.037 HG22 HD22 ' A' ' 44' ' ' LEU . 36.6 t -56.54 -32.51 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.58 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.6 mtmt -71.7 -59.07 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -43.4 -67.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -39.84 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -31.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.4 tp10 -72.96 -41.8 64.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.2 t -71.25 -18.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.68 -54.84 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -30.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.694 ' CB ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.74 -70.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.8 mm-40 -35.92 -54.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' OE1' HD23 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.94 -57.62 12.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.822 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -47.13 -47.34 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.69 -31.55 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -83.98 -32.68 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' ILE . 12.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.749 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 41' ' ' ILE . 18.4 t -54.35 -65.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -59.31 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 -23.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -86.3 -56.76 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -37.43 -32.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.7 tt0 -54.38 -57.68 10.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.22 -54.48 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 41' ' ' ILE . 14.5 t -44.7 -56.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.21 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 64' ' ' ILE . 10.1 mt -61.64 -39.23 90.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -56.16 -44.97 79.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.6 -49.46 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.99 2.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 64' ' ' ILE . 59.9 t -45.08 -41.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -41.21 67.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.07 67.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' CG2' ' A' ' 27' ' ' ILE . 3.1 mt -50.66 135.07 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -48.96 -23.29 3.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 54.38 166.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.69 50.07 0.28 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.73 -46.97 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HB3' HD22 ' A' ' 67' ' ' LEU . 1.4 mmp_? -62.1 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.919 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.9 pt -48.58 -26.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.0 tm-20 -43.46 -24.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.18 -51.45 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 1.069 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.064 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -53.98 -52.13 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.72 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mtpt -71.9 -61.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -58.95 -40.54 85.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.644 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.39 -27.35 65.91 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -34.95 46.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.25 -18.0 35.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.88 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.44 -54.47 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.5 ttmm -53.07 -33.23 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -66.45 -24.72 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 5.1 mttt -81.29 -42.37 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 HD11 ' A' ' 37' ' ' LEU . 1.7 mt -63.4 -18.79 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -54.49 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -7.29 54.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.996 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.996 HG22 HD22 ' A' ' 44' ' ' LEU . 22.4 t -58.59 -33.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' VAL . 5.5 mptt -72.04 -59.02 2.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -43.91 -68.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.1 mt-10 -39.65 -69.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.19 -30.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.4 tp10 -76.39 -47.87 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 t -64.69 -27.42 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -55.04 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -44.55 -30.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.064 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.52 -71.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -36.16 -53.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -52.44 -54.98 25.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.0 mt -47.2 -56.21 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -49.87 -23.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -96.06 -29.75 13.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.878 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.989 HG13 HG22 ' A' ' 41' ' ' ILE . 44.6 t -94.48 -57.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -60.42 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.76 -21.78 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -86.25 -54.14 4.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.9 tt0 -35.73 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.23 -55.57 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -71.49 -47.33 56.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.689 HG12 ' CH2' ' A' ' 34' ' ' TRP . 4.7 t -52.86 -64.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 2.5 tttp -39.87 -52.22 2.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.97 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.229 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mt -51.93 -32.36 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 11.0 tt0 -65.53 -61.51 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -59.16 -36.35 75.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.39 -66.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 HD11 ' A' ' 64' ' ' ILE . 54.4 t -44.1 -26.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 17' ' ' LYS . 3.5 tttt -84.49 -43.29 14.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.21 -34.65 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 67' ' ' LEU . 3.2 mt -54.02 135.54 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.27 -21.83 9.18 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 57.01 165.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.46 43.37 0.23 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 -45.09 1.19 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.53 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.5 mtt180 -63.35 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.943 HG22 HD12 ' A' ' 21' ' ' LEU . 5.0 pt -51.64 -21.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 2.3 tp10 -52.27 -17.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.79 -35.73 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -62.08 -61.56 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 18' ' ' VAL . 1.4 mtpt -44.01 -31.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mttt -65.95 -69.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 5.0 mttp -54.92 -36.08 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.689 ' CH2' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -63.0 -32.53 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -34.33 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.99 -16.5 38.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.916 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.17 -54.64 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -51.32 -31.29 21.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -69.35 -24.2 63.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 24.7 mttm -81.37 -44.7 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.989 HG22 HG13 ' A' ' 4' ' ' VAL . 4.4 mt -62.9 -17.82 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 109.377 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -53.81 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -6.23 48.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.031 ' CD2' HG22 ' A' ' 50' ' ' VAL . 5.6 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.031 HG22 ' CD2' ' A' ' 44' ' ' LEU . 35.6 t -46.61 -33.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' VAL . 14.0 mttm -37.88 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.29 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 54' ' ' GLU . 2.2 t -41.31 -68.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mm-40 -41.75 -59.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -29.35 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.2 tp10 -76.7 -46.98 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.916 HG22 HD21 ' A' ' 37' ' ' LEU . 24.4 t -69.46 -19.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.42 -53.23 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -42.37 -34.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -68.85 -72.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.362 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -35.49 -54.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.19 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -55.98 -57.94 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -49.04 -37.27 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmpt? -66.1 -32.95 74.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.44 -32.35 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.781 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.763 HG13 HG22 ' A' ' 41' ' ' ILE . 43.7 t -53.91 -53.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -48.94 -64.1 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.78 -19.12 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.62 -65.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -36.49 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -53.48 -59.11 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -55.27 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.227 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD12 ' A' ' 41' ' ' ILE . 66.4 t -45.07 -49.58 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -52.85 -49.98 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.75 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 18' ' ' VAL . 10.4 mt -53.87 -47.36 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -50.62 -45.43 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -74.08 -57.52 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -50.97 -60.54 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 31' ' ' LYS . 76.4 t -44.41 -35.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -78.26 -41.19 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.79 -28.69 57.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.128 HD12 HG22 ' A' ' 27' ' ' ILE . 2.7 mt -62.16 133.12 54.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.27 -25.45 1.92 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 53.74 170.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.21 51.17 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.19 60.08 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -102.76 -77.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 0.748 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.128 HG22 HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -47.94 -37.93 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' ILE . 6.5 tt0 -31.45 -63.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -44.43 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.966 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -50.43 -39.5 47.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.966 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.87 -29.55 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.11 -52.47 48.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' LEU . 9.3 mttm -69.3 -35.32 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -56.61 -25.4 52.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -38.06 35.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.07 -23.77 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.32 -58.2 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.2 ttmm -51.82 -31.06 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -71.29 -28.84 64.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.84 -45.25 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.896 HD12 HG21 ' A' ' 11' ' ' VAL . 5.3 mt -61.49 -17.31 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -53.94 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -7.59 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.951 HD22 HG22 ' A' ' 50' ' ' VAL . 6.3 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.951 HG22 HD22 ' A' ' 44' ' ' LEU . 38.4 t -47.2 -33.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.29 -32.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.0 -59.12 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -41.48 -64.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mm-40 -41.6 -64.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -29.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.7 tp10 -77.64 -46.71 21.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -67.67 -23.3 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -54.24 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.09 -35.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.07 -74.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -35.56 -41.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -68.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -52.56 -50.81 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -52.34 -39.26 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -22.72 65.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.237 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -93.28 -31.64 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 64' ' ' ILE . 20.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.731 HG13 HG22 ' A' ' 41' ' ' ILE . 85.0 t -83.15 -62.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.96 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.4 -27.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -81.74 -57.25 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -36.81 -33.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -54.15 -56.59 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -52.09 28.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.798 HG21 HD12 ' A' ' 41' ' ' ILE . 19.7 t -47.49 -56.03 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -49.61 -46.09 48.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.14 93.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mt -58.72 -50.8 72.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.589 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 32.1 tt0 -47.93 -51.84 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.07 -55.12 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.86 -61.4 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.859 HG13 HD11 ' A' ' 30' ' ' LEU . 50.8 t -44.23 -34.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -77.88 -41.17 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.209 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -56.28 -25.73 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.04 HD12 HG22 ' A' ' 27' ' ' ILE . 4.9 mt -65.24 131.95 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.12 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.01 -174.18 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.92 -30.77 5.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.14 43.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -69.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.04 HG22 HD12 ' A' ' 21' ' ' LEU . 1.1 pt -48.25 -32.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.9 tt0 -35.32 -61.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -46.35 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -47.18 -40.74 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.944 ' N ' HD12 ' A' ' 30' ' ' LEU . 4.4 mtpt -58.37 -38.67 77.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.1 mtpt -58.07 -57.15 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 17.7 mttt -63.99 -37.54 87.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.654 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.96 -29.35 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.168 . . . . 0.0 107.987 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.61 -35.8 45.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.43 -14.69 48.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -85.5 -53.41 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -55.38 -34.03 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -23.62 65.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 6.4 mptt -82.3 -43.43 17.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 37' ' ' LEU . 2.2 mt -61.44 -19.0 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.52 -53.42 7.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.53 -5.06 48.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.007 HD22 HG22 ' A' ' 50' ' ' VAL . 5.2 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.007 HG22 HD22 ' A' ' 44' ' ' LEU . 24.8 t -57.65 -33.54 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -37.95 -31.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' VAL . 6.4 mmtt -74.39 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.6 t -41.39 -71.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -38.13 -70.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -42.86 -32.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 tp10 -73.62 -44.46 56.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -68.27 -25.08 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -54.38 22.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -42.76 -33.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.2 -72.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.53 -51.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -69.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -51.12 -49.58 60.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 18' ' ' VAL . 2.6 mt -56.65 -37.9 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -20.82 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -30.55 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 21' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.605 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 41' ' ' ILE . 85.3 t -57.4 -51.75 65.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.79 -54.92 31.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.35 -16.68 48.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.65 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -86.28 -60.08 2.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 22.1 tt0 -37.81 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -57.03 -56.12 25.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -52.72 26.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.935 HG21 HD12 ' A' ' 41' ' ' ILE . 47.6 t -48.93 -47.91 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -56.92 -47.26 81.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.0 mt -65.85 -62.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 3.3 tt0 -35.01 -41.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.237 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.25 -56.72 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.43 -51.69 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.601 1.188 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.6 t -50.25 -39.16 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -24.84 61.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -76.64 -2.67 33.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.7 mt -87.74 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' GLY . . . -69.38 59.22 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.83 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . -35.38 152.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.71 40.34 0.46 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.08 42.55 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 -84.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.83 HD11 ' HA3' ' A' ' 23' ' ' GLY . 3.0 pt -48.22 -25.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.54 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 1.5 tt0 -43.86 -20.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -104.77 -59.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -52.38 -50.89 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.666 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -50.21 -22.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -76.6 -67.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -51.18 -41.51 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.347 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.768 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.83 -29.91 65.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LYS . 2.0 mm-40 -78.54 -34.57 47.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.89 -15.52 44.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.82 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.72 -53.72 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.73 -33.15 46.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -25.08 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 18.9 mttt -80.24 -43.31 21.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.935 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 mt -62.63 -16.75 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.401 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.84 -55.25 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.51 -14.54 62.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.991 HD22 HG22 ' A' ' 50' ' ' VAL . 9.1 mt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.991 HG22 HD22 ' A' ' 44' ' ' LEU . 36.3 t -58.35 -32.53 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -37.84 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.09 -59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.92 -70.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.62 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.94 -33.8 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tp10 -72.01 -44.73 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -68.14 -22.93 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -56.11 12.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -46.79 -25.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.76 -72.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -36.61 -47.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -64.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -55.0 -47.43 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.916 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.7 mt -60.68 -37.84 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.9 mtpt -70.28 -19.0 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -27.66 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.59 ' HG2' HG21 ' A' ' 50' ' ' VAL . 2.3 mpt_? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.786 HG13 HG22 ' A' ' 41' ' ' ILE . 90.1 t -54.77 -41.12 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -58.19 -58.72 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.0 -15.23 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.44 -59.4 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.4 tt0 -37.98 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' LEU . 11.8 mt-10 -55.37 -61.77 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -64.62 -46.92 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 41' ' ' ILE . 50.5 t -54.33 -67.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -39.02 -47.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -48.17 81.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.764 HD13 HD22 ' A' ' 60' ' ' LEU . 5.1 mt -48.97 -40.48 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.0 tt0 -57.26 -52.92 63.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.0 -46.51 74.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -60.22 -61.15 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.5 t -45.06 -39.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -75.04 -39.53 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.3 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.111 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -47.71 151.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.94 -25.84 64.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 59.11 154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.13 51.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.14 -30.21 8.86 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.655 ' HB3' HD21 ' A' ' 67' ' ' LEU . 4.7 mpt_? -72.55 -84.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.111 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.2 pt -49.03 -24.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.4 tt0 -46.83 -22.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 110.373 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.35 -46.76 5.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -54.35 -56.63 16.63 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HG2' HG11 ' A' ' 18' ' ' VAL . 2.0 mtpt -45.21 -28.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 8.8 mtpt -70.95 -70.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.45 -38.12 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -60.49 -29.26 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -78.21 -34.75 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.94 -16.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.72 -57.67 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 5.0 ttmm -50.26 -31.37 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.74 -28.48 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.36 -51.43 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 11' ' ' VAL . 2.8 mt -59.77 -18.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.09 -55.15 5.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -7.21 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.971 HG22 HD22 ' A' ' 44' ' ' LEU . 44.6 t -77.01 -31.52 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' VAL . 17.4 mttt -36.76 -32.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' VAL . 8.5 mttt -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -42.14 -64.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.588 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.3 mt-10 -44.82 -51.04 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 19.4 tt0 -78.27 -41.65 33.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.821 HG12 ' OE2' ' A' ' 61' ' ' GLU . 36.0 t -68.89 -26.57 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -61.74 -52.87 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -41.92 -40.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD22 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.78 -71.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.821 ' OE2' HG12 ' A' ' 57' ' ' VAL . 1.3 mt-10 -37.85 -58.21 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -67.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -51.88 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.2 mt -53.93 -38.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 61' ' ' GLU . 26.6 ttmt -66.24 -23.67 66.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -28.13 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.978 HD13 HD13 ' A' ' 21' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 mpt_? . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 41' ' ' ILE . 98.6 t -54.1 -44.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.19 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.22 -21.34 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 41' ' ' ILE . 1.7 mm? -85.84 -58.38 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -36.63 -32.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.1 tt0 -54.43 -61.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.656 1.223 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -52.9 22.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.907 HG21 HD12 ' A' ' 41' ' ' ILE . 62.1 t -46.64 -55.4 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -47.38 -51.81 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.93 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.546 HD13 HD22 ' A' ' 60' ' ' LEU . 8.7 mt -51.67 -48.26 63.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -49.29 -41.12 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -80.53 -55.66 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -51.95 -56.63 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 64' ' ' ILE . 54.8 t -47.79 -33.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -74.35 -36.4 63.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.3 -14.99 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.3 mt -75.07 122.06 22.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.78 -31.65 1.19 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.73 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 68.22 159.56 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 55.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -35.64 4.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.47 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.744 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.856 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.7 pt -48.63 -31.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.5 tt0 -39.48 -27.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.72 -53.82 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.228 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.069 HD13 HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.96 -52.07 59.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.03 -25.8 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.3 mtpp -75.62 -67.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.5 ptpp? -50.08 -40.31 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.1 -31.02 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -78.73 -32.84 46.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 -16.67 39.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.88 -55.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -54.08 -30.81 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -80.81 -43.21 20.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.907 HD12 HG21 ' A' ' 11' ' ' VAL . 2.3 mt -60.3 -21.06 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.43 -54.69 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.12 -6.44 54.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.024 HD22 HG22 ' A' ' 50' ' ' VAL . 5.1 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.024 HG22 HD22 ' A' ' 44' ' ' LEU . 25.9 t -56.74 -33.78 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' VAL . 9.8 mttm -37.74 -31.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.4 mmtt -75.3 -59.27 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.52 -70.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.99 -70.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.93 -31.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 tp10 -74.09 -45.76 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -66.74 -24.45 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' LEU . 3.5 tptt -67.41 -55.38 13.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -44.93 -25.95 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.069 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.72 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -37.67 -53.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.02 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tt0 -55.98 -54.01 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.844 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.8 mt -51.81 -38.93 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' GLU . 10.6 mmtp -67.08 -26.13 66.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -31.19 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.766 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.0 mpt_? . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 41' ' ' ILE . 88.1 t -55.42 -49.54 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -55.08 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.75 57.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.41 -65.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.377 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -36.44 -34.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.24 -51.87 60.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.27 -54.37 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.791 HG13 ' CZ3' ' A' ' 34' ' ' TRP . 57.0 t -46.45 -51.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 3.1 tptt -49.07 -54.0 17.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.26 94.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD13 HD22 ' A' ' 60' ' ' LEU . 4.8 mt -48.52 -36.87 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.6 tm-20 -65.28 -46.96 78.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -29.5 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 3.0 tttt -79.83 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.782 ' CG2' HD11 ' A' ' 64' ' ' ILE . 53.2 t -45.87 -34.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -77.87 -41.17 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.59 65.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.7 mt -55.08 133.42 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.49 -32.09 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.595 1.185 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.59 178.03 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.78 37.34 3.71 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 63.38 0.21 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.11 -79.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.986 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.7 pt -47.27 -33.61 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 13.3 tt0 -34.91 -61.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.3 -73.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -45.41 -40.95 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.7 mttm -58.01 -37.75 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.2 mttt -61.22 -49.73 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.3 mttp -69.99 -42.69 72.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -52.7 -27.43 17.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.35 -41.24 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -15.37 57.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.98 -57.13 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.3 ttmm -52.39 -31.54 34.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -62.69 -37.26 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.3 mttp -70.51 -48.6 54.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 11' ' ' VAL . 11.6 mt -55.95 -22.56 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.61 -53.57 11.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.92 -10.54 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.781 HD22 HG22 ' A' ' 50' ' ' VAL . 6.2 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.781 HG22 HD22 ' A' ' 44' ' ' LEU . 44.3 t -76.83 -32.78 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 10.3 tttt -37.56 -31.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -72.92 -58.84 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.7 t -43.18 -67.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mm-40 -39.91 -67.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -31.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.4 tp10 -74.94 -47.84 27.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 37' ' ' LEU . 2.9 t -66.37 -25.56 35.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.54 -55.04 15.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -76.71 -71.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.4 mm-40 -35.45 -50.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.01 -69.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -50.98 -52.13 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt -51.39 -39.21 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.72 -25.58 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -38.02 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 64' ' ' ILE . 9.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.802 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 41' ' ' ILE . 98.1 t -55.53 -47.49 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.38 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.53 -21.55 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.78 -66.7 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 10.3 tt0 -36.11 -33.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -51.38 -59.38 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -56.09 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.893 HG21 HD12 ' A' ' 41' ' ' ILE . 66.3 t -43.5 -57.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.7 tppt? -44.2 -51.46 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.22 86.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.751 HD13 HD22 ' A' ' 60' ' ' LEU . 4.7 mt -50.1 -34.18 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 29.3 tt0 -67.42 -56.23 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.65 -25.29 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.0 mtmt -83.26 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.651 HG22 HD11 ' A' ' 64' ' ' ILE . 55.8 t -42.08 -35.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.49 -45.32 39.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.19 -43.18 74.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 67' ' ' LEU . 5.0 mt -44.52 125.23 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.63 -30.23 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.722 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.42 -170.59 2.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.94 34.99 7.91 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.32 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.3 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.722 HD11 ' HA3' ' A' ' 23' ' ' GLY . 5.4 pt -48.67 -24.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 3.4 tp10 -48.47 -23.21 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -42.9 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.686 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.28 -54.68 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' HG2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.46 -26.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 12.0 mtpt -69.57 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -54.23 -35.47 62.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.774 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -63.93 -26.08 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.96 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.99 -29.34 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.89 -58.63 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.9 ttmm -50.67 -29.5 11.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.2 -33.91 70.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 3.1 mtmt -72.02 -47.26 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 11' ' ' VAL . 4.7 mt -59.85 -16.06 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -54.06 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -12.09 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.867 HD22 HG22 ' A' ' 50' ' ' VAL . 7.8 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.867 HG22 HD22 ' A' ' 44' ' ' LEU . 42.8 t -45.63 -33.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -37.78 -31.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.06 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.1 t -40.52 -64.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -42.22 -64.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -28.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.8 tp10 -77.06 -43.99 32.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -69.84 -24.4 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -52.93 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -42.96 -34.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.899 HD23 HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -70.33 -73.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm-40 -35.12 -50.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.75 -68.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -53.56 -50.45 65.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.382 1.052 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -55.64 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 7.6 mttt -70.94 -17.8 62.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.36 60.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 21' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtp180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.717 HG13 HG22 ' A' ' 41' ' ' ILE . 45.9 t -54.7 -52.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.98 -20.3 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -86.26 -54.32 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' LEU . 25.0 tt0 -35.9 -34.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -55.34 -53.39 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tptt -66.73 -59.28 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 41' ' ' ILE . 13.5 t -45.63 -66.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -39.98 -51.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.13 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 60' ' ' LEU . 6.9 mt -55.95 -34.37 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.77 -65.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.6 tp10 -56.2 -41.48 75.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.15 -67.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.728 ' CG2' HD11 ' A' ' 64' ' ' ILE . 43.7 t -44.73 -38.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -72.85 -40.56 65.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -56.46 -47.88 78.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.018 HD12 HG22 ' A' ' 27' ' ' ILE . 4.2 mt -39.61 137.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.96 -22.63 12.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.612 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 47.35 -170.97 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.27 34.87 4.64 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.68 51.14 0.26 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -163.95 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.018 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -47.65 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.3 tt0 -37.07 -60.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.302 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.52 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -45.59 -41.52 10.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.896 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.6 -36.64 69.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -62.58 -45.46 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -73.61 -37.16 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.617 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.11 -25.15 63.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -34.74 44.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -33.13 22.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.65 -59.86 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' HD12 ' A' ' 37' ' ' LEU . 4.6 ttmm -50.35 -31.94 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.84 -29.23 66.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.1 tptt -74.84 -44.36 49.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 11' ' ' VAL . 2.7 mt -59.1 -16.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -55.26 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.957 HD22 HG22 ' A' ' 50' ' ' VAL . 7.2 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD22 ' A' ' 44' ' ' LEU . 21.0 t -52.71 -34.71 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.74 -31.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 2.8 mmtt -74.43 -58.81 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.3 -70.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -38.8 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -32.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.8 tp10 -74.16 -46.91 39.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -66.19 -24.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.36 -54.85 16.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.193 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -41.9 -31.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.58 -70.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.1 mm-40 -34.14 -64.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.09 -68.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 tp10 -50.56 -56.64 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.728 HD11 ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -47.8 -43.84 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.75 -30.12 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -86.56 -32.48 20.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 64' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.924 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.931 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.59 -30.78 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -68.51 -57.02 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.92 -11.72 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -85.75 -55.67 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LEU . 3.6 tt0 -37.58 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -58.99 -51.77 68.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.076 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.6 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 HD12 ' A' ' 41' ' ' ILE . 42.9 t -42.04 -60.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 7.1 tptt -45.18 -52.86 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.72 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 60' ' ' LEU . 10.3 mt -55.67 -36.69 67.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -58.12 -44.44 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 13.5 tt0 -74.62 -41.68 59.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 mmtt -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.752 ' CG2' HD11 ' A' ' 64' ' ' ILE . 55.0 t -44.89 -38.29 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -79.05 -35.06 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.38 -16.92 57.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.0 mt -73.3 137.87 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -45.12 -26.28 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.606 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 48.41 -178.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.62 -33.17 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.88 54.23 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.2 -73.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.1 pt -47.74 -32.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ILE . 3.8 tt0 -34.41 -58.04 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -53.64 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -45.86 -40.01 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.844 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.7 mtmt -58.78 -37.55 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.9 mttt -59.87 -51.87 67.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.3 -43.17 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.735 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -51.24 -25.23 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 107.945 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -37.15 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.11 -23.7 28.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.8 -59.51 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -50.94 -30.68 15.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -70.78 -26.56 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.01 -45.1 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.931 HG22 HG23 ' A' ' 4' ' ' VAL . 5.9 mt -62.14 -16.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.57 -53.24 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -10.39 59.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.028 HD22 HG22 ' A' ' 50' ' ' VAL . 6.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.028 HG22 HD22 ' A' ' 44' ' ' LEU . 41.0 t -57.6 -32.97 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.6 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.58 -58.42 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -41.35 -65.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -44.39 -66.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -29.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.7 tp10 -76.08 -49.26 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.5 t -64.78 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -66.07 -54.85 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -42.53 -35.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.813 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.54 -72.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -36.18 -56.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -64.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -56.75 -57.73 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.7 mt -45.45 -58.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -25.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -92.36 -40.33 10.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.745 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 ttp-105 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 41' ' ' ILE . 70.4 t -92.82 -66.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 7' ' ' LEU . 1.7 mtmt -49.37 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.98 -28.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -80.55 -56.22 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.627 1.204 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' LEU . 27.1 tt0 -36.69 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.0 mt-10 -53.79 -57.14 11.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -51.76 23.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.853 HG21 HD12 ' A' ' 41' ' ' ILE . 66.6 t -47.94 -53.79 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.08 -47.65 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.34 97.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.6 mt -53.29 -43.23 67.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 28.4 tt0 -56.51 -44.43 80.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.9 mt-10 -75.0 -47.93 26.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.1 -60.8 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.912 HG22 HD11 ' A' ' 64' ' ' ILE . 74.5 t -44.89 -43.24 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -36.79 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -58.61 -30.58 67.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.064 HD12 HG22 ' A' ' 27' ' ' ILE . 4.1 mt -59.69 141.5 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.406 1.067 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.55 -27.0 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.623 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 50.35 -171.64 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 37.86 4.41 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.62 54.25 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.08 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.064 HG22 HD12 ' A' ' 21' ' ' LEU . 1.6 pt -47.74 -34.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.3 tt0 -34.55 -61.87 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -45.55 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.7 pp -48.77 -41.15 31.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.3 mtpt -57.88 -30.86 66.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mtpt -66.09 -54.77 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' LEU . 14.8 mttt -67.41 -35.71 79.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.794 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -57.24 -26.65 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 107.965 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -36.33 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.78 -23.37 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.846 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.16 -57.66 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -52.34 -31.82 35.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mttt -81.19 -42.69 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.853 HD12 HG21 ' A' ' 11' ' ' VAL . 3.8 mt -64.88 -16.97 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -54.0 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.68 -6.18 49.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.03 HD22 HG22 ' A' ' 50' ' ' VAL . 5.4 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.03 HG22 HD22 ' A' ' 44' ' ' LEU . 27.4 t -58.34 -33.87 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 41.9 mttt -37.95 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mttp -75.58 -57.91 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -40.34 -69.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -42.88 -62.84 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.22 -32.12 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.2 tp10 -73.01 -44.99 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 t -68.15 -22.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -55.0 15.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -42.37 -33.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.599 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.86 -72.8 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -36.79 -43.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tp10 -54.75 -51.84 64.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.912 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -50.76 -49.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -56.76 -20.81 24.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -95.39 -35.35 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 64' ' ' ILE . 13.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.41 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.4 mtt85 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.73 HG13 HG22 ' A' ' 41' ' ' ILE . 46.4 t -54.64 -52.27 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -67.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -20.37 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.748 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -80.46 -67.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -35.87 -34.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.72 -50.98 54.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -79.72 -57.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 41' ' ' ILE . 84.4 t -43.2 -45.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -55.23 -52.53 63.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.234 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.52 86.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -49.46 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -39.92 -42.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.5 -59.87 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.7 mtmm -50.97 -57.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 30' ' ' LEU . 43.7 t -45.17 -29.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.88 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.61 -23.19 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.051 HD12 HG22 ' A' ' 27' ' ' ILE . 3.3 mt -65.36 128.54 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.31 -31.17 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 52.92 175.17 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.92 44.44 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.5 52.23 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.45 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.52 -31.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 41.2 tt0 -36.84 -59.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.9 -73.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 18' ' ' VAL . 2.4 pp -46.05 -40.86 11.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.911 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -57.12 -37.25 71.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLU . 4.7 mtpt -60.7 -60.59 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 22.2 mttt -60.16 -33.81 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.83 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -61.47 -26.84 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.69 -36.65 43.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.6 -28.42 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.857 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.54 -59.71 2.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -50.04 -31.6 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -64.02 -38.49 91.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.55 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 11' ' ' VAL . 6.4 mt -57.26 -20.87 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -53.83 7.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -6.4 57.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 HG22 ' A' ' 50' ' ' VAL . 4.8 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.848 HG22 HD22 ' A' ' 44' ' ' LEU . 32.3 t -57.64 -33.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.7 -32.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.2 mttt -76.23 -57.77 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.3 t -40.62 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -42.36 -60.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -28.97 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.592 1.182 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' VAL . 6.7 tp10 -77.8 -44.56 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -69.34 -24.54 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -53.59 31.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -44.28 -31.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.716 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.94 -72.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.95 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -51.09 -50.57 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -55.03 -38.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -20.14 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.34 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HD13 ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HD2' HG21 ' A' ' 50' ' ' VAL . 5.7 mtt-85 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.011 HG23 HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -55.21 -40.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -59.75 -55.88 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.06 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -85.62 -59.69 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.0 tm-20 -36.23 -34.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -52.97 -56.29 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -56.28 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 41' ' ' ILE . 85.2 t -44.08 -50.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -50.58 -50.76 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.7 mt -50.34 -38.87 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 30.3 tt0 -61.15 -50.87 71.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -69.17 -39.4 78.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.38 -62.82 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.879 HG22 HD11 ' A' ' 64' ' ' ILE . 87.7 t -44.75 -33.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -39.14 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.72 -28.0 63.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.036 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.6 mt -62.59 123.81 19.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.28 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.898 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 58.69 -179.47 1.4 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 26.82 3.25 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.22 72.69 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER 176.17 -34.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.036 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.27 -36.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 33.5 tt0 -36.28 -61.74 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 9.2 tt0 -44.93 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.1 pp -48.62 -39.12 22.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 13.5 mtmt -60.84 -33.49 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.12 -57.72 8.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.9 mttt -62.42 -34.89 77.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.836 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.53 -28.65 67.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -33.73 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.74 -18.18 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.824 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.29 -56.85 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -51.5 -32.42 27.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -66.69 -29.35 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.3 -46.46 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.011 HG22 HG23 ' A' ' 4' ' ' VAL . 2.0 mt -58.5 -18.53 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -54.62 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -8.92 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.782 HD22 HG22 ' A' ' 50' ' ' VAL . 5.7 mt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG22 HD22 ' A' ' 44' ' ' LEU . 32.0 t -47.16 -33.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.86 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.08 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.63 -68.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.6 mm-40 -39.9 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -28.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.1 tp10 -77.61 -46.95 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.65 HG22 HD21 ' A' ' 37' ' ' LEU . 2.3 t -67.34 -22.94 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -54.91 12.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.54 -31.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -75.28 -71.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -67.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.8 tp10 -53.55 -55.27 27.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 18' ' ' VAL . 2.1 mt -49.04 -41.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -63.28 -31.11 72.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -84.18 -31.11 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 64' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.016 HG13 HG22 ' A' ' 41' ' ' ILE . 25.6 t -56.82 -51.2 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.74 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.78 -22.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.93 -63.77 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.7 tt0 -36.06 -38.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.593 1.183 . . . . 0.0 110.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -49.27 -50.29 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.83 -61.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 41' ' ' ILE . 62.7 t -41.4 -51.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -51.6 -51.7 53.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.48 88.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.4 mt -54.99 -59.65 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -40.09 -46.56 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -69.26 -53.81 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 6.7 mptt -56.27 -60.05 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD11 ' A' ' 30' ' ' LEU . 38.7 t -45.55 -26.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -85.42 -41.29 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.43 -26.16 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.045 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.3 mt -63.88 119.03 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.36 -29.23 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.87 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 61.09 -179.44 3.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.91 26.9 3.14 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.05 74.31 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.687 ' HD2' HD21 ' A' ' 67' ' ' LEU . 2.0 mmt180 174.77 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.793 . . . . 0.0 110.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.045 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.43 -30.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 tt0 -41.79 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -50.68 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 pp -45.46 -40.32 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.865 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.3 mttt -58.46 -40.08 81.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -58.17 -60.77 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.382 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.1 mttt -57.9 -37.01 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -60.04 -31.25 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.007 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -32.43 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.09 -18.08 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.838 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.64 -55.94 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -53.26 -31.05 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.69 -26.21 66.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 7.8 mmtm -80.39 -44.52 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.016 HG22 HG13 ' A' ' 4' ' ' VAL . 1.6 mt -61.28 -21.95 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.03 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.602 1.189 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.75 -6.2 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 50' ' ' VAL . 5.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 HD22 ' A' ' 44' ' ' LEU . 23.2 t -53.57 -33.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 60.7 mttt -37.75 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.4 mptt -73.96 -59.18 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -42.11 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -40.6 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -29.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' VAL . 4.2 tp10 -76.3 -42.38 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.622 HG22 ' CD2' ' A' ' 37' ' ' LEU . 2.1 t -70.47 -19.76 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' LEU . 2.0 tttt -71.93 -55.3 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -42.0 -30.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.4 -70.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' CE ' ' A' ' 10' ' ' LYS . 1.3 mm-40 -34.7 -52.16 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -69.12 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -51.3 -52.6 43.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.76 HD11 HG22 ' A' ' 18' ' ' VAL . 2.0 mt -53.12 -40.82 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -65.17 -24.16 67.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -32.07 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 21' ' ' LEU . 23.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.623 ' O ' HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -91.74 -41.28 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.815 ' HG2' HG11 ' A' ' 50' ' ' VAL . 2.5 mpt_? 69.36 -59.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.997 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.1 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -62.37 -59.71 4.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.35 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.638 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -85.62 -52.15 6.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.0 tt0 -36.59 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -68.19 -53.43 24.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . 4.5 tptm -59.17 -54.34 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD12 ' A' ' 41' ' ' ILE . 10.5 t -50.33 -57.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -35.94 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 -30.56 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD13 ' CB ' ' A' ' 60' ' ' LEU . 3.8 mt -82.24 4.52 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.233 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.44 -52.21 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.9 tt0 -68.45 -37.2 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.413 1.071 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 5.9 mtpt -71.1 -63.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 HD11 ' A' ' 64' ' ' ILE . 55.9 t -44.67 -40.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -38.34 61.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 16' ' ' GLU . . . -57.05 -41.69 79.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 1.4 mt -48.74 123.22 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.92 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.563 1.164 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.919 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 60.83 -177.91 3.68 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.24 26.95 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.94 71.42 0.54 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 4.6 mtp180 177.46 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.267 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.2 pt -91.45 -35.86 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 tp10 -36.2 -58.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -47.21 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 31' ' ' LYS . 4.0 pp -48.57 -39.5 23.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.869 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -60.4 -33.43 72.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -62.5 -59.23 5.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -61.48 -36.46 80.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.3 -27.7 64.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 107.951 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.12 45.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -85.57 -14.48 45.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.931 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.53 -54.71 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -54.43 -33.81 60.18 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.584 1.177 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -69.44 -23.64 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.7 mttt -81.12 -42.47 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.997 HG22 HG23 ' A' ' 4' ' ' VAL . 1.7 mt -62.44 -17.13 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -54.43 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.75 -12.74 61.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.243 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.037 HD22 HG22 ' A' ' 50' ' ' VAL . 9.0 mt -43.48 99.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.07 -72.78 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.28 63.41 1.04 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.36 128.45 2.54 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.34 42.98 3.16 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -92.99 28.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.037 HG22 HD22 ' A' ' 44' ' ' LEU . 36.6 t -56.54 -32.51 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.58 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.6 mtmt -71.7 -59.07 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -43.4 -67.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -39.84 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -31.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' VAL . 2.4 tp10 -72.96 -41.8 64.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.2 t -71.25 -18.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.68 -54.84 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -30.15 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.694 ' CB ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.74 -70.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.365 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.8 mm-40 -35.92 -54.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' OE1' HD23 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.94 -57.62 12.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.822 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -47.13 -47.34 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.69 -31.55 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -83.98 -32.68 24.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' ILE . 12.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -120.64 82.65 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.749 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.9 -57.54 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 41' ' ' ILE . 18.4 t -54.35 -65.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -59.31 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 -23.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -86.3 -56.76 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -37.43 -32.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.7 tt0 -54.38 -57.68 10.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.22 -54.48 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.782 HG21 HD12 ' A' ' 41' ' ' ILE . 14.5 t -44.7 -56.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -50.21 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.51 81.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 64' ' ' ILE . 10.1 mt -61.64 -39.23 90.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -56.16 -44.97 79.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.6 -49.46 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.349 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -61.99 2.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.382 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 64' ' ' ILE . 59.9 t -45.08 -41.42 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -41.21 67.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -38.07 67.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.919 HD12 ' CG2' ' A' ' 27' ' ' ILE . 3.1 mt -50.66 135.07 23.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -48.96 -23.29 3.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 54.38 166.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.69 50.07 0.28 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.73 -46.97 1.05 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.753 ' HB3' HD22 ' A' ' 67' ' ' LEU . 1.4 mmp_? -62.1 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.784 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.919 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.9 pt -48.58 -26.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.0 tm-20 -43.46 -24.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.18 -51.45 3.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 1.069 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.064 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -53.98 -52.13 61.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.72 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mtpt -71.9 -61.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -58.95 -40.54 85.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.644 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.39 -27.35 65.91 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -34.95 46.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.25 -18.0 35.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.88 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.44 -54.47 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.5 ttmm -53.07 -33.23 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -66.45 -24.72 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 5.1 mttt -81.29 -42.37 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.88 HD11 HD11 ' A' ' 37' ' ' LEU . 1.7 mt -63.4 -18.79 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.38 -54.49 6.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -7.29 54.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.996 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt -41.65 102.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.97 160.04 11.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 42.7 54.33 4.99 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.87 -47.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.41 23.01 73.39 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -90.38 34.54 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.996 HG22 HD22 ' A' ' 44' ' ' LEU . 22.4 t -58.59 -33.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -37.44 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 50' ' ' VAL . 5.5 mptt -72.04 -59.02 2.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -43.91 -68.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.1 mt-10 -39.65 -69.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -43.19 -30.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.4 tp10 -76.39 -47.87 21.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 t -64.69 -27.42 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -55.04 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -44.55 -30.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.064 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.52 -71.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -36.16 -53.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.79 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -52.44 -54.98 25.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.0 mt -47.2 -56.21 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -49.87 -23.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -96.06 -29.75 13.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -100.61 78.66 2.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 0.726 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.878 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -148.08 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.989 HG13 HG22 ' A' ' 41' ' ' ILE . 44.6 t -94.48 -57.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -60.42 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.76 -21.78 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -86.25 -54.14 4.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.9 tt0 -35.73 -33.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.23 -55.57 26.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.6 1.188 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -71.49 -47.33 56.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.689 HG12 ' CH2' ' A' ' 34' ' ' TRP . 4.7 t -52.86 -64.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 2.5 tttp -39.87 -52.22 2.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.97 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.229 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mt -51.93 -32.36 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 11.0 tt0 -65.53 -61.51 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -59.16 -36.35 75.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.39 -66.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 HD11 ' A' ' 64' ' ' ILE . 54.4 t -44.1 -26.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 17' ' ' LYS . 3.5 tttt -84.49 -43.29 14.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.21 -34.65 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 67' ' ' LEU . 3.2 mt -54.02 135.54 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.27 -21.83 9.18 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.642 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 57.01 165.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.46 43.37 0.23 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 -45.09 1.19 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.53 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.5 mtt180 -63.35 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.943 HG22 HD12 ' A' ' 21' ' ' LEU . 5.0 pt -51.64 -21.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 2.3 tp10 -52.27 -17.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.79 -35.73 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -62.08 -61.56 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.633 ' HG2' HG11 ' A' ' 18' ' ' VAL . 1.4 mtpt -44.01 -31.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mttt -65.95 -69.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 5.0 mttp -54.92 -36.08 64.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.689 ' CH2' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -63.0 -32.53 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -34.33 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.99 -16.5 38.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.916 HD21 HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -85.17 -54.64 4.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -51.32 -31.29 21.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -69.35 -24.2 63.86 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 24.7 mttm -81.37 -44.7 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.989 HG22 HG13 ' A' ' 4' ' ' VAL . 4.4 mt -62.9 -17.82 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 109.377 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -53.81 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -75.42 -6.23 48.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.254 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.031 ' CD2' HG22 ' A' ' 50' ' ' VAL . 5.6 mt -41.28 99.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 179.81 -93.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.86 81.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.41 -43.83 0.36 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.76 55.82 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.95 33.29 1.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 0.811 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.031 HG22 ' CD2' ' A' ' 44' ' ' LEU . 35.6 t -46.61 -33.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' VAL . 14.0 mttm -37.88 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.29 -58.71 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 54' ' ' GLU . 2.2 t -41.31 -68.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.9 mm-40 -41.75 -59.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -29.35 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.2 tp10 -76.7 -46.98 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.916 HG22 HD21 ' A' ' 37' ' ' LEU . 24.4 t -69.46 -19.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -72.42 -53.23 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -42.37 -34.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -68.85 -72.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.362 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -35.49 -54.73 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.19 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -55.98 -57.94 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.902 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -49.04 -37.27 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmpt? -66.1 -32.95 74.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.44 -32.35 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.072 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 179.48 -53.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.004 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.781 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -115.12 -60.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.763 HG13 HG22 ' A' ' 41' ' ' ILE . 43.7 t -53.91 -53.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -48.94 -64.1 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.78 -19.12 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.62 -65.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -36.49 -33.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -53.48 -59.11 5.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -55.27 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.227 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD12 ' A' ' 41' ' ' ILE . 66.4 t -45.07 -49.58 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -52.85 -49.98 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.75 94.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 18' ' ' VAL . 10.4 mt -53.87 -47.36 71.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -50.62 -45.43 57.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -74.08 -57.52 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -50.97 -60.54 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.791 HG11 ' HG2' ' A' ' 31' ' ' LYS . 76.4 t -44.41 -35.67 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -78.26 -41.19 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.79 -28.69 57.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.128 HD12 HG22 ' A' ' 27' ' ' ILE . 2.7 mt -62.16 133.12 54.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.27 -25.45 1.92 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 53.74 170.34 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.21 51.17 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.19 60.08 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -102.76 -77.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 0.748 . . . . 0.0 110.359 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.128 HG22 HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -47.94 -37.93 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' C ' ' O ' ' A' ' 27' ' ' ILE . 6.5 tt0 -31.45 -63.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -44.43 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.966 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -50.43 -39.5 47.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.966 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.87 -29.55 68.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.11 -52.47 48.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' LEU . 9.3 mttm -69.3 -35.32 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -56.61 -25.4 52.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -38.06 35.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.07 -23.77 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.32 -58.2 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.2 ttmm -51.82 -31.06 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -71.29 -28.84 64.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.84 -45.25 29.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.896 HD12 HG21 ' A' ' 11' ' ' VAL . 5.3 mt -61.49 -17.31 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.85 -53.94 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -7.59 53.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.951 HD22 HG22 ' A' ' 50' ' ' VAL . 6.3 mt -41.7 105.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 173.7 147.85 6.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.67 -73.08 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . -43.15 -42.06 5.14 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.06 26.06 48.01 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -92.89 34.12 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 0.806 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.951 HG22 HD22 ' A' ' 44' ' ' LEU . 38.4 t -47.2 -33.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.29 -32.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.0 -59.12 2.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.2 t -41.48 -64.83 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mm-40 -41.6 -64.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.79 -29.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' VAL . 5.7 tp10 -77.64 -46.71 21.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -67.67 -23.3 29.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -54.24 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -43.09 -35.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -72.07 -74.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -35.56 -41.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -68.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -52.56 -50.81 62.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 18' ' ' VAL . 2.3 mt -52.34 -39.26 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -22.72 65.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.237 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -93.28 -31.64 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 64' ' ' ILE . 20.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.62 68.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.749 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.73 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -146.9 -58.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.731 HG13 HG22 ' A' ' 41' ' ' ILE . 85.0 t -83.15 -62.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.96 -66.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.4 -27.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -81.74 -57.25 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -36.81 -33.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -54.15 -56.59 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -52.09 28.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.798 HG21 HD12 ' A' ' 41' ' ' ILE . 19.7 t -47.49 -56.03 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -49.61 -46.09 48.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.14 93.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mt -58.72 -50.8 72.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.589 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 32.1 tt0 -47.93 -51.84 21.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.07 -55.12 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.86 -61.4 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.859 HG13 HD11 ' A' ' 30' ' ' LEU . 50.8 t -44.23 -34.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -77.88 -41.17 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.209 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -56.28 -25.73 49.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.04 HD12 HG22 ' A' ' 27' ' ' ILE . 4.9 mt -65.24 131.95 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.66 -35.12 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.01 -174.18 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.92 -30.77 5.57 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.14 43.4 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -69.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.04 HG22 HD12 ' A' ' 21' ' ' LEU . 1.1 pt -48.25 -32.54 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.9 tt0 -35.32 -61.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -46.35 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.2 pp -47.18 -40.74 16.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.944 ' N ' HD12 ' A' ' 30' ' ' LEU . 4.4 mtpt -58.37 -38.67 77.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 2.1 mtpt -58.07 -57.15 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' LEU . 17.7 mttt -63.99 -37.54 87.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.654 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.96 -29.35 65.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.168 . . . . 0.0 107.987 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.61 -35.8 45.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.43 -14.69 48.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -85.5 -53.41 5.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -55.38 -34.03 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -23.62 65.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 6.4 mptt -82.3 -43.43 17.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 37' ' ' LEU . 2.2 mt -61.44 -19.0 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.52 -53.42 7.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.53 -5.06 48.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.007 HD22 HG22 ' A' ' 50' ' ' VAL . 5.2 mt -41.28 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.94 167.21 24.08 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.37 48.77 2.24 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.08 -42.98 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.71 26.68 67.15 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -90.58 34.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.007 HG22 HD22 ' A' ' 44' ' ' LEU . 24.8 t -57.65 -33.54 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -37.95 -31.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' VAL . 6.4 mmtt -74.39 -59.49 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.6 t -41.39 -71.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -38.13 -70.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -42.86 -32.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.6 tp10 -73.62 -44.46 56.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -68.27 -25.08 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -54.38 22.93 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -42.76 -33.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.2 -72.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.53 -51.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -69.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -51.12 -49.58 60.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.816 HD11 HG22 ' A' ' 18' ' ' VAL . 2.6 mt -56.65 -37.9 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -20.82 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -30.55 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.835 HD13 HD13 ' A' ' 21' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 71.31 -61.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.727 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.605 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -98.04 -61.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.686 HG13 HG22 ' A' ' 41' ' ' ILE . 85.3 t -57.4 -51.75 65.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.79 -54.92 31.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.35 -16.68 48.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.65 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -86.28 -60.08 2.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 22.1 tt0 -37.81 -31.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -57.03 -56.12 25.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -52.72 26.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.935 HG21 HD12 ' A' ' 41' ' ' ILE . 47.6 t -48.93 -47.91 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -56.92 -47.26 81.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.81 72.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.0 mt -65.85 -62.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 3.3 tt0 -35.01 -41.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.237 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.25 -56.72 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -52.43 -51.69 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.601 1.188 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.6 t -50.25 -39.16 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -24.84 61.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -76.64 -2.67 33.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.7 mt -87.74 138.9 31.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' GLY . . . -69.38 59.22 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.83 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . -35.38 152.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.71 40.34 0.46 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.08 42.55 0.25 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 -84.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.83 HD11 ' HA3' ' A' ' 23' ' ' GLY . 3.0 pt -48.22 -25.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.54 ' O ' ' CD ' ' A' ' 32' ' ' LYS . 1.5 tt0 -43.86 -20.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -104.77 -59.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -52.38 -50.89 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.666 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -50.21 -22.72 1.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -76.6 -67.89 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -51.18 -41.51 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.347 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.768 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -57.83 -29.91 65.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LYS . 2.0 mm-40 -78.54 -34.57 47.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.89 -15.52 44.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.82 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.72 -53.72 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -52.73 -33.15 46.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -25.08 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 18.9 mttt -80.24 -43.31 21.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.935 HD12 HG21 ' A' ' 11' ' ' VAL . 1.6 mt -62.63 -16.75 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.401 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.84 -55.25 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.9 tt0 -69.51 -14.54 62.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.991 HD22 HG22 ' A' ' 50' ' ' VAL . 9.1 mt -43.3 99.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -160.97 -111.29 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.9 -57.09 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.79 115.46 4.14 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.6 44.51 3.26 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -94.38 36.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.991 HG22 HD22 ' A' ' 44' ' ' LEU . 36.3 t -58.35 -32.53 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -37.84 -31.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.18 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -74.09 -59.3 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.92 -70.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.62 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.94 -33.8 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tp10 -72.01 -44.73 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -68.14 -22.93 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -56.11 12.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -46.79 -25.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.76 -72.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -36.61 -47.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -64.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -55.0 -47.43 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.916 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.7 mt -60.68 -37.84 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.9 mtpt -70.28 -19.0 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -27.66 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 10.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -154.83 -54.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.076 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.59 ' HG2' HG21 ' A' ' 50' ' ' VAL . 2.3 mpt_? 70.16 -63.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.786 HG13 HG22 ' A' ' 41' ' ' ILE . 90.1 t -54.77 -41.12 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -58.19 -58.72 7.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.0 -15.23 29.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.44 -59.4 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.4 tt0 -37.98 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' LEU . 11.8 mt-10 -55.37 -61.77 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -64.62 -46.92 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 41' ' ' ILE . 50.5 t -54.33 -67.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -39.02 -47.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.74 -48.17 81.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.764 HD13 HD22 ' A' ' 60' ' ' LEU . 5.1 mt -48.97 -40.48 30.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.0 tt0 -57.26 -52.92 63.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.0 -46.51 74.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -60.22 -61.15 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.5 t -45.06 -39.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -75.04 -39.53 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.3 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.111 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.2 mt -47.71 151.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.94 -25.84 64.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.596 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 59.11 154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.13 51.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.14 -30.21 8.86 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.655 ' HB3' HD21 ' A' ' 67' ' ' LEU . 4.7 mpt_? -72.55 -84.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.111 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.2 pt -49.03 -24.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.4 tt0 -46.83 -22.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 110.373 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.35 -46.76 5.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -54.35 -56.63 16.63 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HG2' HG11 ' A' ' 18' ' ' VAL . 2.0 mtpt -45.21 -28.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 8.8 mtpt -70.95 -70.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.45 -38.12 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -60.49 -29.26 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -78.21 -34.75 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.94 -16.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -81.72 -57.67 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 5.0 ttmm -50.26 -31.37 13.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.74 -28.48 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.36 -51.43 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 11' ' ' VAL . 2.8 mt -59.77 -18.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.09 -55.15 5.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -7.21 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 50' ' ' VAL . 5.5 mt -41.38 105.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.0 -175.46 47.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.43 52.11 1.79 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.72 138.04 3.58 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.95 45.53 3.21 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -89.29 39.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.971 HG22 HD22 ' A' ' 44' ' ' LEU . 44.6 t -77.01 -31.52 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' VAL . 17.4 mttt -36.76 -32.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' VAL . 8.5 mttt -71.99 -59.0 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -42.14 -64.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.588 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.3 mt-10 -44.82 -51.04 9.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' VAL . 19.4 tt0 -78.27 -41.65 33.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.821 HG12 ' OE2' ' A' ' 61' ' ' GLU . 36.0 t -68.89 -26.57 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -61.74 -52.87 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -41.92 -40.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD22 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.78 -71.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.821 ' OE2' HG12 ' A' ' 57' ' ' VAL . 1.3 mt-10 -37.85 -58.21 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -67.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -51.88 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.2 mt -53.93 -38.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 61' ' ' GLU . 26.6 ttmt -66.24 -23.67 66.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -28.13 27.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.978 HD13 HD13 ' A' ' 21' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -138.3 55.82 1.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 0.769 . . . . 0.0 109.929 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 mpt_? 66.22 -68.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 41' ' ' ILE . 98.6 t -54.1 -44.15 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.19 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.22 -21.34 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 41' ' ' ILE . 1.7 mm? -85.84 -58.38 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -36.63 -32.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.1 tt0 -54.43 -61.15 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.656 1.223 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -52.9 22.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.907 HG21 HD12 ' A' ' 41' ' ' ILE . 62.1 t -46.64 -55.4 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -47.38 -51.81 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.93 90.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD13 HD22 ' A' ' 60' ' ' LEU . 8.7 mt -51.67 -48.26 63.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -49.29 -41.12 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -80.53 -55.66 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -51.95 -56.63 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.784 HG22 HD11 ' A' ' 64' ' ' ILE . 54.8 t -47.79 -33.95 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -74.35 -36.4 63.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.3 -14.99 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 67' ' ' LEU . 10.3 mt -75.07 122.06 22.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.78 -31.65 1.19 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.73 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 68.22 159.56 1.48 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 55.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.91 -35.64 4.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.47 -84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.744 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.856 ' CG2' HD12 ' A' ' 21' ' ' LEU . 2.7 pt -48.63 -31.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 1.5 tt0 -39.48 -27.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.72 -53.82 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.228 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.069 HD13 HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.96 -52.07 59.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.632 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.03 -25.8 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 1.3 mtpp -75.62 -67.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.5 ptpp? -50.08 -40.31 45.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.795 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -58.1 -31.02 66.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -78.73 -32.84 46.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.34 -16.67 39.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -84.88 -55.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -54.08 -30.81 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -66.09 -27.17 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -80.81 -43.21 20.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.907 HD12 HG21 ' A' ' 11' ' ' VAL . 2.3 mt -60.3 -21.06 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.43 -54.69 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.12 -6.44 54.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.331 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.024 HD22 HG22 ' A' ' 50' ' ' VAL . 5.1 mt -41.21 106.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.58 151.92 6.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.591 1.182 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.07 -71.89 0.94 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.18 75.71 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.46 26.55 66.56 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.12 39.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.024 HG22 HD22 ' A' ' 44' ' ' LEU . 25.9 t -56.74 -33.78 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' VAL . 9.8 mttm -37.74 -31.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.4 mmtt -75.3 -59.27 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.52 -70.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 53' ' ' VAL . 3.1 mm-40 -38.99 -70.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.93 -31.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 tp10 -74.09 -45.76 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -66.74 -24.45 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 60' ' ' LEU . 3.5 tptt -67.41 -55.38 13.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -44.93 -25.95 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.069 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.72 -70.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -37.67 -53.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.02 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tt0 -55.98 -54.01 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.844 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.8 mt -51.81 -38.93 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' GLU . 10.6 mmtp -67.08 -26.13 66.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -31.19 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD13 HD13 ' A' ' 21' ' ' LEU . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -85.17 89.38 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.012 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.766 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.0 mpt_? -122.72 -60.91 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 41' ' ' ILE . 88.1 t -55.42 -49.54 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.05 -55.08 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.75 57.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -86.41 -65.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.377 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -36.44 -34.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.24 -51.87 60.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.27 -54.37 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.791 HG13 ' CZ3' ' A' ' 34' ' ' TRP . 57.0 t -46.45 -51.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 3.1 tptt -49.07 -54.0 17.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.26 94.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD13 HD22 ' A' ' 60' ' ' LEU . 4.8 mt -48.52 -36.87 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 3.6 tm-20 -65.28 -46.96 78.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.21 -29.5 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 64' ' ' ILE . 3.0 tttt -79.83 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.782 ' CG2' HD11 ' A' ' 64' ' ' ILE . 53.2 t -45.87 -34.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -77.87 -41.17 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.64 -34.59 65.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.986 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.7 mt -55.08 133.42 48.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.49 -32.09 1.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.595 1.185 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.59 178.03 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.78 37.34 3.71 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 63.38 0.21 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.11 -79.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.986 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.7 pt -47.27 -33.61 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 13.3 tt0 -34.91 -61.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.3 -73.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -45.41 -40.95 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.88 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.7 mttm -58.01 -37.75 74.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.2 mttt -61.22 -49.73 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.3 mttp -69.99 -42.69 72.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -52.7 -27.43 17.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.35 -41.24 28.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -15.37 57.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -83.98 -57.13 3.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.3 ttmm -52.39 -31.54 34.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -62.69 -37.26 85.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.3 mttp -70.51 -48.6 54.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 11' ' ' VAL . 11.6 mt -55.95 -22.56 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.61 -53.57 11.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 110.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -80.92 -10.54 59.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.781 HD22 HG22 ' A' ' 50' ' ' VAL . 6.2 mt -41.01 97.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -155.86 166.66 33.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 39.27 -99.0 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.06 126.4 1.97 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.87 46.91 3.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.594 0.82 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -89.32 38.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.781 HG22 HD22 ' A' ' 44' ' ' LEU . 44.3 t -76.83 -32.78 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 50' ' ' VAL . 10.3 tttt -37.56 -31.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -72.92 -58.84 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.7 t -43.18 -67.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mm-40 -39.91 -67.08 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -31.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.4 tp10 -74.94 -47.84 27.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 37' ' ' LEU . 2.9 t -66.37 -25.56 35.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.54 -55.04 15.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.19 -27.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -76.71 -71.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.4 mm-40 -35.45 -50.43 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.01 -69.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -50.98 -52.13 45.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.591 1.182 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.2 mt -51.39 -39.21 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.72 -25.58 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -89.4 -38.02 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 64' ' ' ILE . 9.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -152.06 -64.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.802 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -87.81 -51.88 5.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.601 HG13 HG22 ' A' ' 41' ' ' ILE . 98.1 t -55.53 -47.49 78.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.38 -68.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.53 -21.55 2.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.78 -66.7 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 10.3 tt0 -36.11 -33.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -51.38 -59.38 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -56.09 6.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.893 HG21 HD12 ' A' ' 41' ' ' ILE . 66.3 t -43.5 -57.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 1.7 tppt? -44.2 -51.46 8.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.22 86.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.751 HD13 HD22 ' A' ' 60' ' ' LEU . 4.7 mt -50.1 -34.18 21.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 29.3 tt0 -67.42 -56.23 10.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.65 -25.29 67.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 4.0 mtmt -83.26 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.651 HG22 HD11 ' A' ' 64' ' ' ILE . 55.8 t -42.08 -35.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.49 -45.32 39.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.19 -43.18 74.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 67' ' ' LEU . 5.0 mt -44.52 125.23 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.63 -30.23 0.56 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.722 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 56.42 -170.59 2.54 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.94 34.99 7.91 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.32 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.3 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.342 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.722 HD11 ' HA3' ' A' ' 23' ' ' GLY . 5.4 pt -48.67 -24.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 3.4 tp10 -48.47 -23.21 0.89 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -42.9 6.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.686 HD22 ' CG1' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -58.28 -54.68 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.249 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' HG2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.46 -26.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 12.0 mtpt -69.57 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -54.23 -35.47 62.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.774 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -63.93 -26.08 68.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.96 49.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.99 -29.34 23.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.89 -58.63 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 6.9 ttmm -50.67 -29.5 11.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.2 -33.91 70.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 3.1 mtmt -72.02 -47.26 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 11' ' ' VAL . 4.7 mt -59.85 -16.06 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -54.06 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -71.92 -12.09 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.273 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.867 HD22 HG22 ' A' ' 50' ' ' VAL . 7.8 mt -41.82 97.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -161.35 -107.63 0.22 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.451 1.095 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -37.72 -58.5 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.11 107.22 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 43.6 3.26 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.1 33.58 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.867 HG22 HD22 ' A' ' 44' ' ' LEU . 42.8 t -45.63 -33.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -37.78 -31.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.06 -58.39 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.1 t -40.52 -64.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -42.22 -64.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -28.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.8 tp10 -77.06 -43.99 32.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.3 t -69.84 -24.4 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -52.93 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -42.96 -34.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.899 HD23 HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -70.33 -73.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm-40 -35.12 -50.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.75 -68.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HB3' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -53.56 -50.45 65.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.382 1.052 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 67' ' ' LEU . 1.5 mt -55.64 -37.05 44.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 7.6 mttt -70.94 -17.8 62.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -37.36 60.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.15 HD13 HD13 ' A' ' 21' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -63.94 91.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtp180 -179.74 -71.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.717 HG13 HG22 ' A' ' 41' ' ' ILE . 45.9 t -54.7 -52.94 36.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -57.53 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.98 -20.3 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -86.26 -54.32 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' LEU . 25.0 tt0 -35.9 -34.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -55.34 -53.39 56.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.9 tptt -66.73 -59.28 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 41' ' ' ILE . 13.5 t -45.63 -66.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -39.98 -51.98 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.13 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 60' ' ' LEU . 6.9 mt -55.95 -34.37 65.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.77 -65.27 0.66 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.6 tp10 -56.2 -41.48 75.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.15 -67.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.728 ' CG2' HD11 ' A' ' 64' ' ' ILE . 43.7 t -44.73 -38.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -72.85 -40.56 65.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -56.46 -47.88 78.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.018 HD12 HG22 ' A' ' 27' ' ' ILE . 4.2 mt -39.61 137.77 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.96 -22.63 12.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.612 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 47.35 -170.97 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.27 34.87 4.64 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.68 51.14 0.26 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -163.95 -78.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.018 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -47.65 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.3 tt0 -37.07 -60.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.302 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -50.52 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.936 HD13 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -45.59 -41.52 10.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.896 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -56.6 -36.64 69.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -62.58 -45.46 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -73.61 -37.16 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.617 ' CZ3' ' CG1' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.11 -25.15 63.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 108.004 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -34.74 44.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.14 -33.13 22.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.65 -59.86 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' HD12 ' A' ' 37' ' ' LEU . 4.6 ttmm -50.35 -31.94 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.84 -29.23 66.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' LEU . 5.1 tptt -74.84 -44.36 49.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 11' ' ' VAL . 2.7 mt -59.1 -16.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -55.26 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLY . 1.3 tm-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.957 HD22 HG22 ' A' ' 50' ' ' VAL . 7.2 mt -42.12 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 175.04 141.77 3.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.4 -68.78 0.38 Allowed Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.51 -43.58 10.81 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.03 28.19 63.43 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.62 37.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD22 ' A' ' 44' ' ' LEU . 21.0 t -52.71 -34.71 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.74 -31.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' VAL . 2.8 mmtt -74.43 -58.81 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -41.3 -70.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' N ' HG12 ' A' ' 53' ' ' VAL . 2.5 mt-10 -38.8 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.52 -32.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.8 tp10 -74.16 -46.91 39.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -66.19 -24.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.36 -54.85 16.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.608 1.193 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -41.9 -31.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.936 HD21 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.58 -70.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.1 mm-40 -34.14 -64.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.09 -68.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.271 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 tp10 -50.56 -56.64 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.728 HD11 ' CG2' ' A' ' 18' ' ' VAL . 3.2 mt -47.8 -43.84 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.75 -30.12 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -86.56 -32.48 20.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 64' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.589 ' N ' ' HB2' ' A' ' 6' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.17 -75.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.924 ' HG2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -149.92 -83.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.931 HG23 HG22 ' A' ' 41' ' ' ILE . 1.2 p -54.59 -30.78 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -68.51 -57.02 6.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.23 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB2' ' N ' ' A' ' 1' ' ' GLY . . . -65.92 -11.72 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -85.75 -55.67 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LEU . 3.6 tt0 -37.58 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.2 tt0 -58.99 -51.77 68.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.076 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.6 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.841 HG21 HD12 ' A' ' 41' ' ' ILE . 42.9 t -42.04 -60.12 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 7.1 tptt -45.18 -52.86 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.72 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 60' ' ' LEU . 10.3 mt -55.67 -36.69 67.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -58.12 -44.44 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 13.5 tt0 -74.62 -41.68 59.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 mmtt -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.752 ' CG2' HD11 ' A' ' 64' ' ' ILE . 55.0 t -44.89 -38.29 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -79.05 -35.06 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -62.38 -16.92 57.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.047 HD12 ' CG2' ' A' ' 27' ' ' ILE . 4.0 mt -73.3 137.87 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 23' ' ' GLY . . . -45.12 -26.28 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.606 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 48.41 -178.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.62 -33.17 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.88 54.23 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.2 -73.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.047 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.1 pt -47.74 -32.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ILE . 3.8 tt0 -34.41 -58.04 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -53.64 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -45.86 -40.01 9.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.844 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.7 mtmt -58.78 -37.55 76.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' GLU . 8.9 mttt -59.87 -51.87 67.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.3 -43.17 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.735 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -51.24 -25.23 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 107.945 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -37.15 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.11 -23.7 28.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.965 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.8 -59.51 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -50.94 -30.68 15.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -70.78 -26.56 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.01 -45.1 24.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.931 HG22 HG23 ' A' ' 4' ' ' VAL . 5.9 mt -62.14 -16.33 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.57 -53.24 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -74.94 -10.39 59.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.028 HD22 HG22 ' A' ' 50' ' ' VAL . 6.6 mt -42.2 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 175.31 -70.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.452 1.095 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.06 61.36 0.38 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 137.14 127.42 2.6 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.58 46.09 3.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.57 0.806 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -95.12 30.26 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.793 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.028 HG22 HD22 ' A' ' 44' ' ' LEU . 41.0 t -57.6 -32.97 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.6 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.58 -58.42 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -41.35 -65.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -44.39 -66.42 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -29.96 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 4.7 tp10 -76.08 -49.26 17.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.5 t -64.78 -23.68 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -66.07 -54.85 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -42.53 -35.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.813 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.54 -72.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -36.18 -56.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -64.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -56.75 -57.73 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.884 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.7 mt -45.45 -58.97 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -25.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -92.36 -40.33 10.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . 2.7 t 169.12 138.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.745 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 ttp-105 76.32 -70.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 41' ' ' ILE . 70.4 t -92.82 -66.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 1' ' ' GLY . 1.7 mtmt -49.37 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 2' ' ' SER . . . -41.98 -28.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -80.55 -56.22 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.627 1.204 . . . . 0.0 109.354 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' LEU . 27.1 tt0 -36.69 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LEU . 2.0 mt-10 -53.79 -57.14 11.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -51.76 23.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.853 HG21 HD12 ' A' ' 41' ' ' ILE . 66.6 t -47.94 -53.79 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.08 -47.65 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.34 97.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.6 mt -53.29 -43.23 67.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 28.4 tt0 -56.51 -44.43 80.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.9 mt-10 -75.0 -47.93 26.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.1 -60.8 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.912 HG22 HD11 ' A' ' 64' ' ' ILE . 74.5 t -44.89 -43.24 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -36.79 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLU . . . -58.61 -30.58 67.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.064 HD12 HG22 ' A' ' 27' ' ' ILE . 4.1 mt -59.69 141.5 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.406 1.067 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.55 -27.0 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.623 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 50.35 -171.64 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 37.86 4.41 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.62 54.25 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.08 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.064 HG22 HD12 ' A' ' 21' ' ' LEU . 1.6 pt -47.74 -34.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 4.3 tt0 -34.55 -61.87 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -45.55 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.7 pp -48.77 -41.15 31.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.3 mtpt -57.88 -30.86 66.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 4.3 mtpt -66.09 -54.77 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' LEU . 14.8 mttt -67.41 -35.71 79.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.794 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -57.24 -26.65 61.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 107.965 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -36.33 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.78 -23.37 31.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.846 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -74.16 -57.66 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -52.34 -31.82 35.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -71.94 -24.84 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mttt -81.19 -42.69 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.853 HD12 HG21 ' A' ' 11' ' ' VAL . 3.8 mt -64.88 -16.97 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -54.0 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.68 -6.18 49.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.03 HD22 HG22 ' A' ' 50' ' ' VAL . 5.4 mt -41.18 107.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.04 147.82 5.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.68 -80.59 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.27 -43.62 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.1 23.99 68.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -90.94 40.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.03 HG22 HD22 ' A' ' 44' ' ' LEU . 27.4 t -58.34 -33.87 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' VAL . 41.9 mttt -37.95 -31.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mttp -75.58 -57.91 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 t -40.34 -69.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.3 mt-10 -42.88 -62.84 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.22 -32.12 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 5.2 tp10 -73.01 -44.99 60.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 t -68.15 -22.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -55.0 15.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -42.37 -33.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -73.86 -72.8 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -36.79 -43.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.4 tp10 -54.75 -51.84 64.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.912 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -50.76 -49.42 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -56.76 -20.81 24.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -95.39 -35.35 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.822 HD12 ' HA ' ' A' ' 64' ' ' ILE . 13.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.86 73.89 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 0.753 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.41 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.4 mtt85 -137.21 -62.56 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.73 HG13 HG22 ' A' ' 41' ' ' ILE . 46.4 t -54.64 -52.27 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.19 -67.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -20.37 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.748 HD12 ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -80.46 -67.85 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -35.87 -34.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -50.72 -50.98 54.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -79.72 -57.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.914 HG21 HD12 ' A' ' 41' ' ' ILE . 84.4 t -43.2 -45.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -55.23 -52.53 63.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.234 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.52 86.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -49.46 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.585 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -39.92 -42.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.5 -59.87 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.7 mtmm -50.97 -57.18 9.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 30' ' ' LEU . 43.7 t -45.17 -29.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -42.88 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -55.61 -23.19 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.051 HD12 HG22 ' A' ' 27' ' ' ILE . 3.3 mt -65.36 128.54 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.31 -31.17 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 52.92 175.17 0.05 OUTLIER Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.92 44.44 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.5 52.23 0.68 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.45 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.051 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.52 -31.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 41.2 tt0 -36.84 -59.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.9 -73.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 18' ' ' VAL . 2.4 pp -46.05 -40.86 11.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.911 ' N ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -57.12 -37.25 71.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLU . 4.7 mtpt -60.7 -60.59 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 22.2 mttt -60.16 -33.81 72.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.83 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -61.47 -26.84 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -78.69 -36.65 43.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.6 -28.42 37.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.857 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.54 -59.71 2.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 37' ' ' LEU . 7.0 ttmm -50.04 -31.6 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -64.02 -38.49 91.26 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.55 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.914 HD12 HG21 ' A' ' 11' ' ' VAL . 6.4 mt -57.26 -20.87 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -53.83 7.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -80.15 -6.4 57.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD22 HG22 ' A' ' 50' ' ' VAL . 4.8 mt -41.38 -28.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . -39.87 -54.29 2.99 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 115.5 5.31 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.63 136.76 8.39 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.73 41.4 2.14 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.09 33.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 0.728 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.848 HG22 HD22 ' A' ' 44' ' ' LEU . 32.3 t -57.64 -33.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -37.7 -32.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' VAL . 9.2 mttt -76.23 -57.77 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.3 t -40.62 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -42.36 -60.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -28.97 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.592 1.182 . . . . 0.0 110.349 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' VAL . 6.7 tp10 -77.8 -44.56 27.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -69.34 -24.54 27.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -53.59 31.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -44.28 -31.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.716 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.94 -72.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -34.95 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -51.09 -50.57 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 HG22 ' A' ' 18' ' ' VAL . 3.1 mt -55.03 -38.79 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -20.14 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -32.34 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HD13 ' A' ' 21' ' ' LEU . 19.9 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -142.74 56.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.754 . . . . 0.0 110.068 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HD2' HG21 ' A' ' 50' ' ' VAL . 5.7 mtt-85 -150.33 -69.86 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.011 HG23 HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -55.21 -40.14 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -59.75 -55.88 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.06 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -85.62 -59.69 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.0 tm-20 -36.23 -34.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -52.97 -56.29 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -56.28 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.934 HG21 HD12 ' A' ' 41' ' ' ILE . 85.2 t -44.08 -50.13 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -50.58 -50.76 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.23 95.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 18' ' ' VAL . 7.7 mt -50.34 -38.87 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HB2' ' CH2' ' A' ' 34' ' ' TRP . 30.3 tt0 -61.15 -50.87 71.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -69.17 -39.4 78.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.38 -62.82 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.879 HG22 HD11 ' A' ' 64' ' ' ILE . 87.7 t -44.75 -33.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -39.14 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.72 -28.0 63.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.036 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.6 mt -62.59 123.81 19.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.63 -28.28 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.179 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.898 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 58.69 -179.47 1.4 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.6 26.82 3.25 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.22 72.69 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HB3' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER 176.17 -34.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.036 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.27 -36.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 33.5 tt0 -36.28 -61.74 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 9.2 tt0 -44.93 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.965 HD12 ' N ' ' A' ' 31' ' ' LYS . 3.1 pp -48.62 -39.12 22.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.965 ' N ' HD12 ' A' ' 30' ' ' LEU . 13.5 mtmt -60.84 -33.49 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.12 -57.72 8.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.9 mttt -62.42 -34.89 77.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.836 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -59.53 -28.65 67.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -33.73 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.74 -18.18 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.824 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.29 -56.85 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -51.5 -32.42 27.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -66.69 -29.35 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.3 -46.46 27.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.011 HG22 HG23 ' A' ' 4' ' ' VAL . 2.0 mt -58.5 -18.53 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -54.62 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.244 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.24 -8.92 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.782 HD22 HG22 ' A' ' 50' ' ' VAL . 5.7 mt -41.31 105.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -119.37 0.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.116 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.1 -54.73 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.68 2.18 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.97 20.48 8.45 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.19 36.35 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.401 0.706 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG22 HD22 ' A' ' 44' ' ' LEU . 32.0 t -47.16 -33.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -37.86 -31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.08 -58.37 3.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.8 t -41.63 -68.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 53' ' ' VAL . 1.6 mm-40 -39.9 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -28.45 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.1 tp10 -77.61 -46.95 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.65 HG22 HD21 ' A' ' 37' ' ' LEU . 2.3 t -67.34 -22.94 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -54.91 12.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -41.54 -31.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -75.28 -71.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -67.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' LEU . 1.8 tp10 -53.55 -55.27 27.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 18' ' ' VAL . 2.1 mt -49.04 -41.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -63.28 -31.11 72.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -84.18 -31.11 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 64' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' VAL . 38.8 t -130.17 4.2 4.81 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 2' ' ' SER . 6.7 mtt-85 65.18 -69.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.016 HG13 HG22 ' A' ' 41' ' ' ILE . 25.6 t -56.82 -51.2 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -47.74 -67.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.78 -22.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HG ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -81.93 -63.77 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.7 tt0 -36.06 -38.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.593 1.183 . . . . 0.0 110.333 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -49.27 -50.29 39.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.83 -61.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 41' ' ' ILE . 62.7 t -41.4 -51.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -51.6 -51.7 53.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.48 88.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.4 mt -54.99 -59.65 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -40.09 -46.56 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -69.26 -53.81 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 6.7 mptt -56.27 -60.05 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD11 ' A' ' 30' ' ' LEU . 38.7 t -45.55 -26.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -85.42 -41.29 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . -57.43 -26.16 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.045 HD12 ' CG2' ' A' ' 27' ' ' ILE . 2.3 mt -63.88 119.03 9.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.36 -29.23 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.87 ' HA3' HD11 ' A' ' 27' ' ' ILE . . . 61.09 -179.44 3.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.91 26.9 3.14 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.05 74.31 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.687 ' HD2' HD21 ' A' ' 67' ' ' LEU . 2.0 mmt180 174.77 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.793 . . . . 0.0 110.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.045 ' CG2' HD12 ' A' ' 21' ' ' LEU . 1.3 pt -91.43 -30.53 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 2.8 tt0 -41.79 -58.23 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -50.68 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 pp -45.46 -40.32 8.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.865 ' N ' HD12 ' A' ' 30' ' ' LEU . 3.3 mttt -58.46 -40.08 81.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -58.17 -60.77 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.382 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LEU . 7.1 mttt -57.9 -37.01 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -60.04 -31.25 69.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.007 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -32.43 50.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.09 -18.08 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.838 HD11 HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -82.64 -55.94 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -53.26 -31.05 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.69 -26.21 66.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 7.8 mmtm -80.39 -44.52 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.637 1.211 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.016 HG22 HG13 ' A' ' 4' ' ' VAL . 1.6 mt -61.28 -21.95 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.03 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.602 1.189 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.75 -6.2 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.368 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 50' ' ' VAL . 5.0 mt -41.66 109.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.98 158.14 9.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.51 57.08 6.8 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.78 -42.69 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.36 26.09 65.77 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -91.29 29.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 HD22 ' A' ' 44' ' ' LEU . 23.2 t -53.57 -33.3 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' VAL . 60.7 mttt -37.75 -31.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.4 mptt -73.96 -59.18 2.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.4 t -42.11 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -40.6 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -29.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' VAL . 4.2 tp10 -76.3 -42.38 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.622 HG22 ' CD2' ' A' ' 37' ' ' LEU . 2.1 t -70.47 -19.76 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' LEU . 2.0 tttt -71.93 -55.3 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -42.0 -30.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.4 -70.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CD ' ' CE ' ' A' ' 10' ' ' LYS . 1.3 mm-40 -34.7 -52.16 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -69.12 0.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -51.3 -52.6 43.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.76 HD11 HG22 ' A' ' 18' ' ' VAL . 2.0 mt -53.12 -40.82 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -65.17 -24.16 67.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 -32.07 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.748 HD13 HD13 ' A' ' 21' ' ' LEU . 23.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 stop_ save_