data_1wi7_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 1wi7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 11.3 mtt180 -125.76 144.42 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 4.0 m -148.77 145.43 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -98.73 134.83 41.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 40.3 t -75.82 119.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -92.97 -19.86 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 9.3 m-85 -137.33 127.58 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -69.74 138.98 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.474 ' CB ' HD11 ' A' ' 26' ' ' LEU . 37.1 t80 -133.38 125.72 29.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.75 127.45 45.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.98 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -79.76 6.48 10.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -140.23 171.01 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.85 31.38 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.9 18.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -116.87 168.74 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -102.55 151.56 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 39.1 tt0 -104.9 100.2 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.1 mt -76.24 139.2 41.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.28 116.61 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' LYS . 97.5 t -36.44 108.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.12 -17.62 14.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.04 148.08 47.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.99 115.86 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.497 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 4.6 mt -102.32 125.5 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.66 87.0 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.79 111.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 m -95.17 -34.94 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.3 -149.29 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.09 125.53 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 53' ' ' MET . 31.4 t -73.8 -74.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 pt-20 -146.15 176.02 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 115.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.31 -5.12 85.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 76.1 m95 -125.01 127.4 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -119.98 170.55 9.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -125.07 128.47 48.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -151.88 -169.42 17.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 5.6 t -121.42 139.49 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 65.0 tp -117.53 87.39 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 63.01 48.25 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.81 -31.86 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.087 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 177.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -158.82 151.31 21.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 167.05 166.83 26.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.404 ' CB ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.35 131.75 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -137.86 156.8 74.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.63 10.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 60.7 p -86.11 11.67 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.84 14.69 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -137.58 33.19 2.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.39 -172.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 105.07 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.89 165.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -141.75 145.01 34.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 12.5 m -150.04 148.1 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -94.0 148.51 22.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 41.6 t -89.46 115.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -88.98 -29.0 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 4.8 m-85 -129.89 122.98 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -64.99 143.29 58.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.467 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.9 t80 -135.91 125.45 25.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -93.33 127.75 45.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -81.29 8.65 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -143.72 164.83 29.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.19 35.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.28 21.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -119.87 168.65 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.6 mt -101.13 149.44 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.515 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 54.3 tt0 -104.32 97.65 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 17.9 mt -74.34 138.65 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -138.86 116.79 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.4 t -36.06 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.34 35.08 2.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.44 136.52 54.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -107.2 116.81 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 4.1 mt -104.6 112.97 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.92 77.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.5 t -41.08 113.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 36' ' ' GLY . 34.3 m -94.75 -43.6 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -157.11 -149.25 5.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 38' ' ' VAL . 1.8 tm-20 -139.14 134.94 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' N ' ' HG2' ' A' ' 37' ' ' GLU . 10.7 t -84.77 -63.25 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' TRP . 10.0 pt-20 -160.93 164.36 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.08 129.91 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.37 15.4 70.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.585 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 69.9 m95 -149.12 128.69 13.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.9 m0 -121.85 168.43 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.22 130.69 56.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -157.31 -172.68 24.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 2.8 t -117.45 147.11 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 67.0 tp -128.36 89.01 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 63.23 47.21 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.93 -35.96 3.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 174.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -154.83 159.91 40.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.435 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 165.56 -174.37 41.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.585 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 10.1 ptm -106.17 125.15 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -130.78 157.75 76.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.29 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 87.8 p -86.71 -1.17 57.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.79 22.21 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -147.16 36.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.25 -173.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -145.6 105.92 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 2.8 mp0 -54.07 169.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 4.3 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' VAL . 1.6 mpt_? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 14.5 mtm180 -119.38 143.45 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 5.4 m -148.71 146.91 28.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -99.92 141.17 33.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 45.8 t -80.95 117.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -91.6 -19.48 22.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.2 m-85 -142.22 122.82 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -63.3 144.87 56.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.475 ' CB ' HD12 ' A' ' 26' ' ' LEU . 25.3 t80 -137.62 117.94 13.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -86.03 127.58 61.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.61 4.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -79.57 5.73 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.5 -179.53 5.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.23 30.54 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.08 19.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.65 163.35 15.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 21.8 mt -97.01 141.91 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 31.1 tt0 -98.24 100.52 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 16' ' ' TYR . 35.0 mt -72.46 139.74 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.0 mtpt -141.16 116.01 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 27' ' ' LYS . 99.1 t -36.6 105.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.57 -37.5 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.8 147.33 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.12 119.69 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.457 HD13 ' CD2' ' A' ' 26' ' ' LEU . 2.6 mt -103.18 124.42 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.05 81.41 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ARG . 67.4 t -40.49 118.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 36' ' ' GLY . 7.5 p -105.46 -46.07 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -149.21 -173.87 20.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -125.63 132.64 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 t -81.56 -68.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 8.1 pt-20 -150.05 170.32 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.92 111.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.07 -16.35 59.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 71.0 m95 -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.7 m0 -119.88 166.97 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -121.49 126.36 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.67 -165.57 13.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' OG1' ' A' ' 51' ' ' THR . 3.0 t -117.4 152.03 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 31.9 tp -135.41 94.05 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.78 33.68 12.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.85 -39.17 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.8 157.63 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.455 ' OG1' ' CG2' ' A' ' 46' ' ' VAL . 5.9 m -132.69 143.76 49.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -175.33 -173.67 41.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.571 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 9.8 ptm -107.91 124.77 50.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.75 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -128.75 157.51 75.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 128.96 11.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 24.8 p -87.44 13.38 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -106.04 14.44 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -140.23 35.2 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.2 -173.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -148.98 105.45 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.02 165.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.25 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.7 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 8.5 mtt-85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -105.12 143.02 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' SG ' ' CG2' ' A' ' 34' ' ' VAL . 3.9 m -142.22 145.63 34.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -100.58 133.02 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 46.9 t -70.92 124.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -98.41 -17.17 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 8.5 m-85 -140.33 137.18 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 m -75.82 134.44 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.474 ' CB ' HD12 ' A' ' 26' ' ' LEU . 22.3 t80 -131.59 116.65 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -86.38 127.47 60.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.09 4.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.06 2.3 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -139.57 173.04 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.84 30.77 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.47 15.65 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.62 162.37 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 18.0 mt -95.49 144.36 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -99.09 100.12 11.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 16' ' ' TYR . 22.1 mt -73.3 137.15 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -141.83 115.45 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.2 t -35.24 106.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.44 -36.66 3.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.74 147.23 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.4 mt -103.08 127.42 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.65 89.72 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 18.1 t -47.3 113.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 36' ' ' GLY . 28.8 m -95.91 -41.43 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -156.71 -136.09 2.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.3 134.68 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -84.76 -73.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.1 pt-20 -144.57 173.03 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.48 115.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.47 -7.07 82.01 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.567 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 72.2 m95 -124.5 130.45 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 40.8 m0 -122.35 175.37 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.83 130.08 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -152.55 -169.81 18.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.5 t -119.31 135.44 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.5 tp -113.56 85.01 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 60.79 55.36 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 174.86 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -157.33 149.35 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.31 -169.75 42.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.567 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 12.2 ptm -110.72 126.3 54.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -131.01 156.36 80.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.3 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 3.5 t -89.46 13.67 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.48 16.5 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.12 32.51 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.73 -172.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -151.67 104.89 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.53 171.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -122.64 148.05 45.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -148.39 148.1 29.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.274 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -102.18 152.37 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 68.9 t -96.13 117.73 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -90.61 -21.3 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.3 m-85 -131.04 120.69 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 p -62.55 124.45 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 27.8 t80 -112.81 142.24 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 9.8 mt -114.54 127.97 26.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.01 110.48 3.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.763 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.83 -9.15 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.07 161.78 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.26 67.62 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.58 -34.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -57.64 171.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 10.9 mt -91.85 145.82 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -111.17 102.0 10.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 8.6 mt -77.12 143.11 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -137.46 123.29 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' LYS . 72.8 t -38.12 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.87 25.4 6.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.83 139.73 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.43 109.11 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 26' ' ' LEU . 3.1 mt -101.69 117.78 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.4 mt-10 -68.01 79.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' GLU . 88.6 t -39.39 117.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 36' ' ' GLY . 8.6 p -100.69 -51.72 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' N ' ' CG1' ' A' ' 35' ' ' VAL . . . -149.34 -155.97 6.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 135.07 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 t -81.28 -69.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.3 pt-20 -147.98 168.76 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 117.97 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 -12.6 69.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CE3' ' SD ' ' A' ' 53' ' ' MET . 76.2 m95 -124.24 124.85 43.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 41.9 m0 -115.64 167.19 11.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -120.73 131.99 54.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.05 -171.14 24.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.9 t -115.81 164.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 53.9 tp -146.96 87.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 59.07 46.32 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.35 -27.47 13.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -75.23 158.02 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -143.81 164.4 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.36 179.74 30.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.464 ' SD ' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -96.3 136.28 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.47 158.95 59.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.07 13.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 80.8 p -87.11 4.59 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -101.46 21.2 14.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -143.59 34.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.05 -171.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -147.39 106.87 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.34 168.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 4.6 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -125.43 144.28 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.1 m -143.67 151.26 39.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.97 145.22 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 31.5 t -81.79 119.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -96.5 -12.87 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 7.9 m-85 -146.45 125.36 12.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.483 ' CB ' HD13 ' A' ' 26' ' ' LEU . 17.2 t80 -136.78 118.18 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.79 128.84 52.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.99 115.98 4.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.55 0.81 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -137.91 -179.74 5.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -103.48 25.76 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 12.5 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.3 mt-10 -112.05 162.82 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 14.1 mt -96.31 146.13 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 35.3 tt0 -99.49 101.18 12.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.615 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 26.7 mt -74.16 136.13 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -141.16 113.75 8.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' LYS . 59.3 t -35.35 106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.79 -31.28 5.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.439 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 27.3 m-20 -62.94 162.24 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 HG21 ' CD ' ' A' ' 9' ' ' ARG . 17.9 mt -136.78 126.48 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.615 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 4.9 mt -101.69 115.47 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.03 85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ARG . 62.8 t -51.39 112.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.64 -35.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.22 -144.47 3.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.51 133.69 17.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.329 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.63 -73.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.4 pt-20 -143.79 171.05 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.42 111.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.21 -13.95 64.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 62.1 m95 -120.43 129.03 53.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -120.22 172.91 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.964 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.96 126.55 39.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -151.69 -160.31 9.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' OG1' ' A' ' 51' ' ' THR . 12.0 t -128.44 115.58 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 2.3 tp -60.51 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -142.6 61.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.2 -11.81 55.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -99.98 -165.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 0.722 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' CG2' ' A' ' 46' ' ' VAL . 1.1 m -165.89 147.45 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.5 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 176.01 -176.11 47.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.576 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 9.5 ptm -103.99 124.88 49.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 32' ' ' ILE . 22.0 p90 -130.46 155.75 80.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.59 8.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 83.6 p -78.95 -2.08 38.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -88.04 -5.76 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.61 31.17 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 56' ' ' SER . 2.6 pp -140.03 -174.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -145.32 106.08 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 165.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -137.76 145.77 42.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' CA ' HD12 ' A' ' 62' ' ' LEU . 27.3 p -136.54 158.49 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.7 tt0 -112.87 94.79 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.6 t -41.15 106.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -88.6 -18.35 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 8.1 m-85 -132.95 134.5 44.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 p -77.09 129.99 36.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.409 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 63.3 t80 -124.3 143.67 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mt -111.65 126.67 28.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.04 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.09 -5.5 22.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -138.21 169.42 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.9 23.37 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 4.62 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.1 mt-10 -104.82 176.87 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -107.66 149.1 28.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 39.0 tt0 -103.82 100.67 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.0 mt -75.01 129.02 36.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -128.51 117.69 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.8 t -34.62 112.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.32 -36.41 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.27 144.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.3 mt -118.31 105.26 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 2.0 mt -90.05 129.02 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.47 73.42 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' GLU . 96.4 t -38.99 111.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 36' ' ' GLY . 23.1 m -97.92 -44.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -149.98 -165.74 12.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.95 131.27 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.7 -66.24 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.2 pt-20 -153.62 172.85 16.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.97 115.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.34 -5.03 84.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 39' ' ' GLU . 75.1 m95 -127.49 128.93 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 37.7 m0 -119.39 163.96 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.04 119.69 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.89 -165.94 12.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 4.1 t -119.17 163.91 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 63.9 tp -146.0 88.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 62.7 38.51 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.34 -25.87 26.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.04 153.39 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.36 154.6 50.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.532 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.84 165.49 21.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.407 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -83.67 132.21 34.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.014 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 3.7 p90 -134.85 156.84 78.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 26.7 p -81.03 2.52 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.06 10.22 34.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.85 40.7 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.57 -172.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -148.45 100.21 3.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 mtm180 -116.62 145.85 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 34' ' ' VAL . 3.7 m -148.23 144.6 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.06 136.12 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 47.4 t -68.5 111.11 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -84.54 -25.31 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -141.45 121.74 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -58.42 142.56 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.478 ' CB ' HD13 ' A' ' 26' ' ' LEU . 31.9 t80 -135.12 120.3 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -87.03 127.15 60.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.99 111.0 3.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 11.97 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -134.49 -175.83 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 29.43 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.29 24.1 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 1.4 mm-40 -115.1 156.65 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.4 mt -91.63 147.34 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.86 97.05 7.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 21.3 mt -71.46 134.25 46.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.01 113.85 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.3 t -35.16 107.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.61 -37.34 3.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -56.7 142.8 38.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -115.35 119.38 61.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -100.99 122.72 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.48 98.08 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 39.8 t -51.72 112.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 36' ' ' GLY . 31.5 m -100.72 -42.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -157.18 -162.27 11.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' OE1' ' NE1' ' A' ' 43' ' ' TRP . 13.4 tt0 -133.64 130.89 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 53' ' ' MET . 17.6 t -80.16 -74.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.8 pt-20 -144.54 174.66 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.75 116.67 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.17 -5.59 84.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ3' ' SD ' ' A' ' 53' ' ' MET . 72.4 m95 -125.07 128.39 48.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -120.55 169.47 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -122.47 123.99 42.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -144.67 -173.44 16.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.7 t -119.11 135.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 tp -112.69 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 60.75 55.68 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -32.09 4.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 175.73 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -157.1 157.19 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.42 170.42 27.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -86.13 135.61 33.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.96 155.29 70.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.12 13.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.477 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.4 t -89.5 12.43 16.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.39 12.2 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -138.72 34.37 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.05 -173.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' CD ' ' HB2' ' A' ' 13' ' ' ALA . 3.2 ptmt -150.45 105.26 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.75 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -129.42 146.22 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 34' ' ' VAL . 8.4 m -149.09 148.33 29.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 7.7 tt0 -101.28 151.72 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' OD1' ' A' ' 30' ' ' ASP . 2.6 t -95.13 129.35 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -103.43 -18.34 14.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.2 m-85 -137.86 118.59 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.8 p -60.86 133.08 55.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CB ' HD13 ' A' ' 26' ' ' LEU . 27.7 t80 -124.41 126.01 45.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -98.17 129.1 31.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.72 5.54 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.35 -157.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.63 20.03 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -139.29 14.01 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 16' ' ' TYR . 1.6 mt-10 -107.67 159.45 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.3 mt -92.09 147.34 23.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' O ' HD21 ' A' ' 47' ' ' LEU . 40.5 tt0 -103.35 97.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 12.9 mt -74.25 142.99 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.36 120.52 12.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.5 t -36.14 107.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.04 27.79 5.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' OD1' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -94.29 170.63 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -146.22 91.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 4.0 mt -91.41 113.87 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 84.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 75.6 t -44.53 112.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 36' ' ' GLY . 31.3 m -97.93 -45.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -151.86 -142.02 3.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.95 137.66 18.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.9 -72.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 14.0 pt-20 -146.41 173.66 12.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 116.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.21 -6.87 82.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.575 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 66.5 m95 -125.21 129.99 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 40.9 m0 -120.55 166.66 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -122.43 128.47 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.8 -166.19 13.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 6.8 t -125.61 128.62 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 25' ' ' GLU . 62.4 tp -103.74 83.39 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 62.21 55.62 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.08 -32.86 4.71 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -64.49 179.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -160.94 151.53 18.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.54 -172.83 43.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.575 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 ptm -109.38 124.8 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.477 ' CE1' HG21 ' A' ' 32' ' ' ILE . 36.6 p90 -131.28 155.67 81.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.04 12.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 75.5 p -84.33 8.22 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.44 17.5 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -141.37 34.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -142.35 -172.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 8.0 ptmt -146.83 105.34 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -47.06 170.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HG3' ' A' ' 33' ' ' GLU . 4.7 mtm180 -144.75 147.01 32.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -137.2 162.41 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -116.35 92.06 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.4 t -38.16 115.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -99.47 -15.36 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -133.62 123.74 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 p -67.48 130.04 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.479 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.0 t80 -127.06 123.61 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -94.65 128.87 38.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.99 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.32 7.25 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.98 -173.14 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -112.45 28.62 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.7 19.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -113.98 164.74 13.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt -99.01 148.26 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 43.6 tt0 -101.08 98.5 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 12.3 mt -74.96 133.24 41.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.9 mtpt -136.0 116.21 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 27' ' ' LYS . 85.1 t -32.76 109.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.0 -27.61 8.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.14 135.28 53.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -108.28 97.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.4 mt -84.53 109.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 9' ' ' ARG . 1.2 mt-10 -66.43 81.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.1 t -44.86 111.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 36' ' ' GLY . 26.3 m -97.41 -44.4 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -151.68 -147.26 4.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -150.64 137.88 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -83.33 -71.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.1 pt-20 -147.5 173.88 12.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.52 118.66 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.88 -3.98 86.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.429 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.6 m95 -128.03 127.54 43.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 36.1 m0 -118.53 172.31 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.25 123.14 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.06 -165.43 11.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 5.8 t -124.3 137.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 59.6 tp -114.27 87.77 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 62.28 47.48 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 -31.15 6.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 176.19 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -154.02 152.85 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 164.4 163.26 17.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.17 130.93 35.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -133.52 156.99 79.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.03 13.81 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 43' ' ' TRP . 58.3 p -86.08 5.83 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -100.84 14.35 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -138.52 35.95 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -139.79 -173.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HD2' ' CB ' ' A' ' 13' ' ' ALA . 9.6 ptmt -149.24 99.25 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.21 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 11' ' ' GLN . 4.6 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -134.59 147.21 50.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.99 161.6 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 2.4 tt0 -117.39 96.37 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.0 t -40.12 115.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.478 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . . . -97.15 -8.3 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -147.43 125.56 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -67.56 135.97 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.487 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 30.2 t80 -131.45 122.94 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -91.25 127.98 49.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -80.81 7.83 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -137.01 -178.57 5.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -107.06 31.51 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -150.32 21.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.5 mt-10 -116.29 159.63 21.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 36.2 mt -94.81 144.32 25.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 32.7 tt0 -97.75 100.77 12.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 14.3 mt -74.51 136.83 42.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.08 118.33 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.8 t -34.89 111.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.98 -35.04 4.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -48.18 141.0 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 mt -115.97 106.89 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.9 mt -91.63 123.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -78.24 77.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 82.8 t -37.58 115.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 36' ' ' GLY . 4.2 p -105.11 -42.79 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -154.02 -169.48 18.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE2' ' CD1' ' A' ' 43' ' ' TRP . 11.6 tt0 -126.86 131.93 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.69 -64.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 42' ' ' TRP . 10.3 pt-20 -157.68 174.55 15.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.81 114.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.47 82.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CE3' ' HE2' ' A' ' 53' ' ' MET . 72.8 m95 -128.63 129.86 46.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.0 m0 -120.56 162.6 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -118.42 120.15 36.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.13 17.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.3 t -110.92 157.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 52.0 tp -141.1 91.37 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 57.52 48.84 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.81 5.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -69.97 165.4 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -148.86 143.65 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -178.71 -161.62 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.576 ' HE2' ' CE3' ' A' ' 42' ' ' TRP . 10.0 ptm -115.51 123.05 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 p90 -126.21 156.92 71.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.67 16.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.542 1.812 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 60.5 p -86.64 8.88 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.2 m120 -100.53 9.55 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' ASN . 6.7 m-85 -135.22 39.65 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.72 -171.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -154.48 99.9 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.59 158.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 11' ' ' GLN . 6.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 8.4 ptp180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 35.5 mtm180 -114.58 142.05 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 3.5 m -147.98 145.13 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.6 163.16 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 34.7 t -102.54 115.11 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -90.01 -16.35 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 2.1 m-85 -141.84 122.75 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -64.69 138.36 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.478 ' CB ' HD13 ' A' ' 26' ' ' LEU . 41.2 t80 -130.62 125.79 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.86 126.8 47.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.05 114.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.65 4.92 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.94 -170.26 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 25.13 11.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.57 16.21 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 4.0 mt-10 -110.73 161.38 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.5 mt -95.43 144.5 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 33.1 tt0 -99.46 98.6 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 16.1 mt -74.47 138.93 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.1 mtmt -140.47 119.47 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.7 t -35.66 102.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.53 28.65 4.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.79 143.21 43.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.8 mt -115.89 116.06 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.591 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 2.4 mt -99.33 104.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 1.9 mt-10 -59.13 81.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' ILE . 22.4 t -40.09 118.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 36' ' ' GLY . 3.8 p -110.86 -38.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' N ' HG11 ' A' ' 35' ' ' VAL . . . -163.64 -167.08 23.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 139.46 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.07 -68.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.4 pt-20 -143.4 163.71 32.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.54 123.92 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.83 -8.28 78.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 83.1 m95 -129.0 124.77 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -115.44 172.36 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -130.29 120.9 25.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.41 -166.15 12.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' OG1' ' A' ' 51' ' ' THR . 67.4 t -123.2 121.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 1.9 tp -72.36 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.551 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.1 OUTLIER -158.13 66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -19.1 56.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -91.77 -164.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' CG2' ' A' ' 46' ' ' VAL . 1.2 m -170.51 145.54 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.485 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -179.66 -171.11 42.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.485 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 5.9 ptm -110.13 116.57 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CE1' HG23 ' A' ' 32' ' ' ILE . 46.6 p90 -118.91 154.95 53.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 131.89 14.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -85.1 9.69 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.59 20.61 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -148.9 33.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.29 -172.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -147.71 106.63 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 3.1 mp0 -54.98 168.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 4.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 2.0 mpt_? . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -129.16 144.7 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.5 m -150.51 149.25 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.27 139.34 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.9 t -76.84 111.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -83.78 -24.59 30.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.4 m-85 -141.48 120.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 p -58.82 143.48 47.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 24.3 t80 -134.96 111.87 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -82.17 127.45 71.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.02 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -4.4 16.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -128.89 172.08 11.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.93 75.73 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.61 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.4 mt-10 -65.72 151.44 46.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.3 mt -78.8 143.0 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.36 98.53 9.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 19.1 mt -72.3 135.47 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -135.11 118.16 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.4 t -36.95 108.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.19 -35.36 4.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.0 137.58 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mt -112.61 123.8 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 33' ' ' GLU . 2.9 mt -107.73 141.53 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -96.56 84.85 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 80.5 t -44.63 110.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG21 ' N ' ' A' ' 36' ' ' GLY . 32.2 m -95.24 -45.28 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' GLU . . . -151.56 163.74 30.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.73 124.88 50.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.59 -69.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.6 pt-20 -147.27 167.7 23.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.96 116.88 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 -11.82 70.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.3 m95 -124.56 127.01 46.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 47.3 m0 -118.34 -177.28 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.1 tt0 -144.79 131.93 20.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.14 -167.02 16.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.2 163.77 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 37.6 tp -146.37 110.35 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 14.4 p30 46.94 24.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.88 -36.29 4.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.24 172.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 52' ' ' GLY . 99.5 m -149.67 155.77 40.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.59 179.54 37.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.443 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 1.7 ptp -96.3 144.02 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -148.52 156.14 42.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.08 16.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 4.7 p -89.82 20.42 4.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -110.31 18.44 19.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -145.35 32.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.05 -172.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 104.89 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.07 164.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 3.4 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.536 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 8.6 mtt180 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -136.17 143.84 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -137.65 160.49 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' HD13 ' A' ' 62' ' ' LEU . 1.8 tt0 -116.52 97.37 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 42.1 t -38.91 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' C ' ' CD1' ' A' ' 14' ' ' PHE . . . -90.19 -7.61 53.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.5 m-85 -147.67 123.59 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 p -66.08 131.71 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.48 ' CB ' HD12 ' A' ' 26' ' ' LEU . 35.3 t80 -128.09 126.44 41.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -96.83 127.9 37.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.93 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 2.12 14.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -138.62 177.29 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -101.15 28.25 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.56 13.98 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -114.57 163.22 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -95.66 149.72 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 41.7 tt0 -104.08 98.0 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.539 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 13.5 mt -74.0 132.71 42.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 28' ' ' VAL . 11.8 mttt -133.19 117.43 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 27' ' ' LYS . 84.6 t -33.71 110.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.2 -34.36 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.29 136.86 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.09 99.07 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.2 mt -81.76 120.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -76.53 80.97 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.536 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 73.0 t -43.08 110.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 m -99.35 -35.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.36 -152.46 6.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.83 125.9 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.11 -76.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' OE2' ' CG ' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -148.0 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.28 119.6 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.72 -0.33 89.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 86.2 m95 -130.77 124.64 31.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 32.0 m0 -117.85 167.6 11.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -121.84 127.25 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.22 -174.39 25.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.2 t -111.08 165.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 65.6 tp -149.32 90.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 59.5 48.7 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.91 -35.86 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.42 177.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.6 m -157.06 169.05 25.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.85 -167.34 34.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.569 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 11.5 ptm -115.14 121.85 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.44 157.73 60.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.72 22.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.9 t -86.13 -2.74 58.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.95 14.41 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.36 36.21 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.68 -172.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -151.09 98.64 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.32 157.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 11' ' ' GLN . 5.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' VAL . 9.2 ptm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -130.78 147.96 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.64 163.92 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 108.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' N ' HD13 ' A' ' 62' ' ' LEU . 4.0 tt0 -120.54 100.57 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 27' ' ' LYS . 24.2 t -41.92 116.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.08 -12.44 17.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 m-85 -140.06 123.02 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 p -66.02 130.18 42.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' CB ' HD13 ' A' ' 26' ' ' LEU . 39.2 t80 -128.24 119.19 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.44 125.7 62.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -7.87 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -134.74 173.46 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -96.13 22.9 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.32 4.14 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.89 159.77 16.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -88.94 146.04 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 31.3 tt0 -101.18 97.54 8.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 16' ' ' TYR . 16.9 mt -70.54 128.7 37.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -129.86 114.6 16.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.1 t -34.88 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.93 -36.41 3.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CB ' ' A' ' 27' ' ' LYS . 1.8 m-20 -50.43 137.51 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.7 mt -110.56 103.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.534 HG22 ' CE1' ' A' ' 54' ' ' PHE . 1.3 mt -84.21 115.07 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' VAL . 3.3 mt-10 -72.27 77.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ARG . 60.3 t -38.79 112.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 36' ' ' GLY . 24.7 m -99.13 -43.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -152.51 -150.84 5.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -151.88 140.51 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 37' ' ' GLU . 45.7 t -88.57 -72.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 42' ' ' TRP . 13.5 pt-20 -145.87 171.96 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.53 121.76 5.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.29 84.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 83.0 m95 -128.27 126.77 41.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 37.4 m0 -120.32 172.43 7.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -126.39 121.49 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.13 -175.49 22.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 1.9 t -109.88 164.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 56.0 tp -147.09 113.14 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.7 p30 47.13 24.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 110.99 -36.23 4.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -61.73 178.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -151.54 159.44 44.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 166.21 -165.24 38.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.537 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 10.8 ptm -119.74 118.48 30.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' HG22 ' A' ' 32' ' ' ILE . 26.0 p90 -119.57 158.27 49.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 125.11 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.511 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 94.3 p -73.3 -5.19 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -87.52 10.15 18.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.46 34.47 3.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.11 -173.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.36 99.03 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . 2.0 mp0 -39.94 157.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 11' ' ' GLN . 4.9 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.3 143.6 51.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.2 m -149.17 148.32 29.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -99.86 150.84 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 13' ' ' ALA . 25.4 t -95.12 136.0 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -107.83 -22.08 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -134.29 128.48 33.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.9 m -63.98 130.19 43.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.474 ' CB ' HD12 ' A' ' 26' ' ' LEU . 13.5 t80 -121.82 124.41 44.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -99.72 130.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.455 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.0 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.23 7.38 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.34 178.09 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -103.94 31.12 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -149.64 20.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -113.36 174.18 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -106.87 147.85 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.05 99.4 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.0 mt -74.75 145.6 42.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.4 mttt -136.1 119.92 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.3 t -36.54 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.32 23.19 6.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.515 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.05 153.07 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.2 mt -125.82 88.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mt -80.37 140.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.7 mt-10 -93.47 73.3 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLU . 98.9 t -39.74 117.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.32 -47.62 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.04 -151.05 5.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.62 136.18 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -82.61 -70.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 10.4 pt-20 -148.52 172.61 14.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.46 113.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.21 -12.75 67.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 75.7 m95 -121.35 127.48 51.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.0 m0 -119.69 163.92 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 107.973 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.57 131.8 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -168.78 27.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 38.3 t -114.95 163.88 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 10.2 tp -120.29 -76.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.87 44.82 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.13 -10.02 56.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.34 -158.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.78 149.19 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.369 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.519 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 171.84 166.06 29.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.86 129.07 34.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.06 156.03 80.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.48 16.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.553 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 15.3 p -88.99 5.31 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.92 9.97 40.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.03 31.45 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.88 -171.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -150.38 106.1 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.1 mp0 -53.08 165.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' VAL . 80.9 mtt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -126.26 142.73 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 m -149.91 150.98 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.274 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -104.27 164.19 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 53.4 t -100.96 133.24 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -108.87 -15.71 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.7 m-85 -134.49 134.5 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.9 p -69.31 142.44 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.517 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 27.8 t80 -142.93 129.53 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -102.92 130.04 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -75.01 116.5 4.6 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.65 4.87 14.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -142.17 176.46 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -99.89 32.2 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.48 17.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.6 mt-10 -116.05 171.46 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 15.4 mt -100.68 148.11 25.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -106.08 97.84 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 6.8 mt -81.09 138.36 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -135.58 45.34 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 t 37.27 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.22 37.85 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 31.7 m-20 -122.75 140.5 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.51 112.3 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.482 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.4 mt -102.0 112.03 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.9 mt-10 -66.37 78.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.3 t -37.68 113.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 36' ' ' GLY . 9.3 p -101.45 -47.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -151.72 -167.67 15.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -135.81 129.89 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.92 -72.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.6 pt-20 -143.3 164.85 29.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 120.14 3.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.96 -14.99 64.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.591 ' CE3' ' HE2' ' A' ' 53' ' ' MET . 79.2 m95 -124.92 130.19 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -119.39 175.17 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -128.42 126.52 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -153.08 -172.31 21.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 2.2 t -119.3 128.34 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' LYS . 36.9 tp -102.57 109.75 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.2 p30 47.91 24.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 116.89 -43.66 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.9 tptt -61.07 156.18 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -122.18 146.01 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.512 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.56 151.15 7.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.591 ' HE2' ' CE3' ' A' ' 42' ' ' TRP . 28.0 ptm -82.22 133.41 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -135.39 160.95 66.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.7 12.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -84.49 8.95 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -103.28 14.85 30.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.15 39.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.6 -172.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 106.28 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.415 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 mp0 -54.58 165.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 3.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.1 131.56 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.1 m -135.25 148.38 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -99.99 147.18 25.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 45.5 t -93.18 117.82 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -89.86 -21.11 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 3.5 m-85 -133.37 121.01 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 p -62.34 134.09 55.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.479 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 41.2 t80 -126.03 140.95 52.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -111.1 130.01 23.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.95 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -81.1 8.21 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -140.0 -178.18 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.04 31.74 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.83 19.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.2 mt-10 -115.74 169.26 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -104.39 148.61 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 40.0 tt0 -102.66 99.88 9.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 8.1 mt -76.94 140.62 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -138.53 119.06 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.7 t -35.06 100.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 109.92 30.09 3.57 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -109.05 144.16 37.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 0.71 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mt -117.27 112.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 26' ' ' LEU . 2.5 mt -104.66 119.69 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -74.09 77.78 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLU . 24.0 t -39.38 111.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 36' ' ' GLY . 13.1 p -92.17 -44.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 35' ' ' VAL . . . -149.09 178.01 26.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.13 102.7 10.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.481 HG21 ' CB ' ' A' ' 42' ' ' TRP . 7.5 m -53.5 -61.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 42' ' ' TRP . 3.8 pt-20 -163.47 -173.04 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 124.88 25.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.38 -0.32 85.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.647 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 43.5 m95 -142.36 162.58 35.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 42' ' ' TRP . 17.7 m0 -151.61 178.21 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 11.0 tt0 -132.24 129.02 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.79 -170.9 23.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 2.4 t -110.32 156.86 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 60.6 tp -140.69 91.83 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 55.89 49.49 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.99 -27.92 8.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -72.24 175.84 5.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.6 m -155.19 160.73 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 160.39 -171.91 36.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.1 ptm -112.8 118.62 35.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -115.01 157.31 43.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.14 13.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 12.4 t -87.68 15.2 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -109.97 14.49 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -143.69 36.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.53 -172.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 13' ' ' ALA . 11.3 pttt -149.89 105.71 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.369 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -50.06 170.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -127.2 143.77 51.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.0 m -149.87 145.49 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' N ' HD13 ' A' ' 62' ' ' LEU . 27.1 tt0 -107.83 116.96 32.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 27' ' ' LYS . 70.7 t -55.48 141.23 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -119.18 -4.25 10.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 10.9 m-85 -152.05 119.63 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -61.18 127.3 30.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -116.72 123.12 46.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -90.71 123.07 66.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.98 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 0.68 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -130.2 -175.52 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.1 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.7 12.95 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 5.5 mt-10 -109.42 153.72 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -87.59 145.41 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 48.5 tt0 -99.11 98.94 9.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 18.7 mt -72.56 151.02 42.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 28' ' ' VAL . 5.1 mtpt -150.88 96.66 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 27' ' ' LYS . 3.6 p -28.85 100.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 127.97 -3.67 6.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 64.3 m-20 -98.15 139.93 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -105.74 124.12 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -107.59 118.42 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG3' ' NH1' ' A' ' 9' ' ' ARG . 1.7 mt-10 -70.19 74.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.8 t -39.56 110.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 36' ' ' GLY . 32.6 m -93.89 -44.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -151.41 -155.87 7.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -145.08 138.82 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.29 -71.72 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.76 161.76 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.36 142.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . 61.75 17.26 53.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.572 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 67.8 m95 -151.91 131.69 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 46.0 m0 -124.51 175.85 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 107.993 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -126.62 123.36 37.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.53 -169.97 19.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.2 t -113.6 164.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 28.3 tp -152.39 106.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 10.6 p30 50.91 21.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.39 -23.23 23.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' LEU . 3.8 tttp -77.71 131.55 37.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 52' ' ' GLY . 3.0 m -113.22 154.12 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 168.0 -168.6 40.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.572 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 ptm -110.97 121.12 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -124.49 158.94 59.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.487 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.3 p -99.96 5.47 45.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -90.74 -32.85 15.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.04 25.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 56' ' ' SER . 2.7 pp -140.31 -171.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 104.03 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.74 159.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 4.6 mtm180 -119.38 142.78 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.2 m -150.46 147.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -99.89 148.45 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 52.5 t -90.53 119.59 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -94.54 -24.95 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 2.3 m-85 -133.11 120.35 21.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.2 p -62.57 141.4 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.478 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 32.8 t80 -134.68 120.82 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.65 126.86 58.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.06 114.15 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -74.79 0.44 15.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.66 -174.08 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -110.14 23.75 13.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.34 11.58 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.0 mt-10 -109.05 161.45 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.2 mt -94.45 147.71 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 39.0 tt0 -100.53 98.5 9.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 17.1 mt -73.58 135.65 43.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' VAL . 3.0 mtpt -138.25 117.6 12.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.5 t -35.96 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.74 -36.37 3.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.69 141.82 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -119.41 116.89 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -97.27 137.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -92.67 78.26 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLU . 16.7 t -40.04 109.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 36' ' ' GLY . 19.0 m -88.51 -39.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -152.01 -161.67 10.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.133 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.8 tt0 -129.82 105.25 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 42' ' ' TRP . 16.2 m -58.65 -58.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 42' ' ' TRP . 3.9 pt-20 -166.18 -172.79 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 122.93 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -4.09 81.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m95 -139.29 163.35 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 42' ' ' TRP . 22.6 m0 -150.38 -176.61 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.07 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' VAL . 1.2 tt0 -134.99 120.35 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.86 -171.18 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.08 163.39 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 55.8 tp -147.37 111.34 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 12.6 p30 48.38 23.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 111.96 -33.03 5.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -66.71 171.95 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 52' ' ' GLY . 1.1 m -140.37 164.63 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 154.78 174.97 25.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 ptp -101.55 127.0 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CE1' HG21 ' A' ' 32' ' ' ILE . 32.6 p90 -122.19 158.98 53.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 15.6 p -84.22 8.59 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -106.42 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -151.38 35.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.78 -172.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -148.88 105.16 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -49.74 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -146.52 142.17 27.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.76 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.68 164.48 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.07 104.92 1.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -100.62 121.0 40.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.96 121.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.29 110.7 2.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.71 150.89 49.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 11.3 mtt180 -125.76 144.42 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 4.0 m -148.77 145.43 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -98.73 134.83 41.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 40.3 t -75.82 119.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -92.97 -19.86 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 9.3 m-85 -137.33 127.58 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -69.74 138.98 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' CB ' HD11 ' A' ' 26' ' ' LEU . 37.1 t80 -133.38 125.72 29.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.75 127.45 45.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.98 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -79.76 6.48 10.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -140.23 171.01 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.85 31.38 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.9 18.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -116.87 168.74 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -102.55 151.56 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 39.1 tt0 -104.9 100.2 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.1 mt -76.24 139.2 41.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.28 116.61 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' LYS . 97.5 t -36.44 108.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.12 -17.62 14.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.04 148.08 47.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.99 115.86 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.497 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 4.6 mt -102.32 125.5 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.66 87.0 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.79 111.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 m -95.17 -34.94 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.3 -149.29 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.09 125.53 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG22 ' CB ' ' A' ' 53' ' ' MET . 31.4 t -73.8 -74.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 pt-20 -146.15 176.02 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 115.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.31 -5.12 85.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 76.1 m95 -125.01 127.4 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -119.98 170.55 9.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -125.07 128.47 48.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -151.88 -169.42 17.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 5.6 t -121.42 139.49 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 65.0 tp -117.53 87.39 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 63.01 48.25 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.81 -31.86 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.087 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.41 177.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -158.82 151.31 21.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 167.05 166.83 26.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.404 ' CB ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.35 131.75 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -137.86 156.8 74.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.63 10.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 60.7 p -86.11 11.67 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.84 14.69 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -137.58 33.19 2.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.39 -172.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 105.07 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.89 165.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt -142.03 120.12 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.36 148.99 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.66 -172.1 54.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 62.8 5.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.72 99.42 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -126.54 155.79 41.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -132.12 91.36 2.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -175.92 142.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.37 84.42 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.16 102.23 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.5 97.83 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -114.59 162.67 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -141.75 145.01 34.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 12.5 m -150.04 148.1 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -94.0 148.51 22.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 41.6 t -89.46 115.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -88.98 -29.0 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 4.8 m-85 -129.89 122.98 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -64.99 143.29 58.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.9 t80 -135.91 125.45 25.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -93.33 127.75 45.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -81.29 8.65 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -143.72 164.83 29.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.19 35.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.28 21.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -119.87 168.65 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.6 mt -101.13 149.44 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.515 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 54.3 tt0 -104.32 97.65 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 17.9 mt -74.34 138.65 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -138.86 116.79 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.4 t -36.06 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.34 35.08 2.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.44 136.52 54.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -107.2 116.81 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 4.1 mt -104.6 112.97 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.92 77.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.5 t -41.08 113.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 36' ' ' GLY . 34.3 m -94.75 -43.6 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -157.11 -149.25 5.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 38' ' ' VAL . 1.8 tm-20 -139.14 134.94 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' N ' ' HG2' ' A' ' 37' ' ' GLU . 10.7 t -84.77 -63.25 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' TRP . 10.0 pt-20 -160.93 164.36 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.08 129.91 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.37 15.4 70.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.585 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 69.9 m95 -149.12 128.69 13.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.9 m0 -121.85 168.43 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.22 130.69 56.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -157.31 -172.68 24.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 2.8 t -117.45 147.11 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 67.0 tp -128.36 89.01 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 63.23 47.21 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.93 -35.96 3.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.16 174.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -154.83 159.91 40.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.435 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 165.56 -174.37 41.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.585 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 10.1 ptm -106.17 125.15 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -130.78 157.75 76.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.29 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 87.8 p -86.71 -1.17 57.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.79 22.21 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -147.16 36.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -141.25 -173.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -145.6 105.92 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 2.8 mp0 -54.07 169.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 4.3 mt -145.88 148.83 33.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m 49.37 82.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.39 174.23 15.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 58.7 4.99 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.1 m -49.27 123.03 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 t -46.79 -58.27 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -139.9 83.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 -57.3 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.28 63.81 1.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -148.55 158.16 43.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t 65.04 112.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.84 111.43 1.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.097 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' VAL . 1.6 mpt_? -89.4 152.9 21.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 14.5 mtm180 -119.38 143.45 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 5.4 m -148.71 146.91 28.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -99.92 141.17 33.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 45.8 t -80.95 117.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -91.6 -19.48 22.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.2 m-85 -142.22 122.82 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -63.3 144.87 56.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.475 ' CB ' HD12 ' A' ' 26' ' ' LEU . 25.3 t80 -137.62 117.94 13.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -86.03 127.58 61.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.61 4.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -79.57 5.73 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.5 -179.53 5.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.23 30.54 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.08 19.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.65 163.35 15.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 21.8 mt -97.01 141.91 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 31.1 tt0 -98.24 100.52 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 16' ' ' TYR . 35.0 mt -72.46 139.74 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.0 mtpt -141.16 116.01 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 27' ' ' LYS . 99.1 t -36.6 105.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.57 -37.5 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -52.8 147.33 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.12 119.69 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.457 HD13 ' CD2' ' A' ' 26' ' ' LEU . 2.6 mt -103.18 124.42 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.05 81.41 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ARG . 67.4 t -40.49 118.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 36' ' ' GLY . 7.5 p -105.46 -46.07 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -149.21 -173.87 20.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -125.63 132.64 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 t -81.56 -68.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 8.1 pt-20 -150.05 170.32 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.92 111.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.07 -16.35 59.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 71.0 m95 -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.7 m0 -119.88 166.97 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -121.49 126.36 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.67 -165.57 13.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' OG1' ' A' ' 51' ' ' THR . 3.0 t -117.4 152.03 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 31.9 tp -135.41 94.05 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.78 33.68 12.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.85 -39.17 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.8 157.63 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.455 ' OG1' ' CG2' ' A' ' 46' ' ' VAL . 5.9 m -132.69 143.76 49.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -175.33 -173.67 41.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 9.8 ptm -107.91 124.77 50.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.75 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -128.75 157.51 75.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 128.96 11.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 24.8 p -87.44 13.38 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -106.04 14.44 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -140.23 35.2 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.2 -173.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -148.98 105.45 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.02 165.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.25 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.7 mt -144.34 162.93 35.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -136.84 89.08 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.99 -167.61 15.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 84.29 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.8 m -82.31 126.92 32.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.86 83.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -158.61 105.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 151.74 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.21 88.24 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -115.71 81.92 1.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -127.4 92.84 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.18 101.63 1.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 8.5 mtt-85 -87.12 139.98 30.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -105.12 143.02 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' SG ' ' CG2' ' A' ' 34' ' ' VAL . 3.9 m -142.22 145.63 34.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -100.58 133.02 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 46.9 t -70.92 124.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -98.41 -17.17 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 8.5 m-85 -140.33 137.18 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 m -75.82 134.44 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' CB ' HD12 ' A' ' 26' ' ' LEU . 22.3 t80 -131.59 116.65 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -86.38 127.47 60.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.09 4.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.06 2.3 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -139.57 173.04 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.84 30.77 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.47 15.65 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.62 162.37 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 18.0 mt -95.49 144.36 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -99.09 100.12 11.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 16' ' ' TYR . 22.1 mt -73.3 137.15 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -141.83 115.45 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.2 t -35.24 106.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.44 -36.66 3.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.74 147.23 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.4 mt -103.08 127.42 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -81.65 89.72 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 18.1 t -47.3 113.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 36' ' ' GLY . 28.8 m -95.91 -41.43 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -156.71 -136.09 2.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.3 134.68 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -84.76 -73.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.1 pt-20 -144.57 173.03 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.48 115.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.47 -7.07 82.01 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.567 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 72.2 m95 -124.5 130.45 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 40.8 m0 -122.35 175.37 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.83 130.08 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -152.55 -169.81 18.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.5 t -119.31 135.44 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.5 tp -113.56 85.01 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 60.79 55.36 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 174.86 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.2 m -157.33 149.35 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.31 -169.75 42.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.567 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 12.2 ptm -110.72 126.3 54.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -131.01 156.36 80.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 133.3 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 3.5 t -89.46 13.67 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.48 16.5 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.12 32.51 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.73 -172.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -151.67 104.89 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.53 171.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 mt -142.84 92.32 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.59 136.61 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.46 170.78 12.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.49 12.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 t -164.65 136.06 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 t -127.39 119.31 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -156.76 133.63 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.042 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -46.91 129.17 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.97 -82.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -92.33 95.57 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -92.85 104.12 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.15 124.26 0.74 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -125.24 168.85 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -122.64 148.05 45.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -148.39 148.1 29.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.274 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -102.18 152.37 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 68.9 t -96.13 117.73 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -90.61 -21.3 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.3 m-85 -131.04 120.69 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 p -62.55 124.45 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 27.8 t80 -112.81 142.24 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 9.8 mt -114.54 127.97 26.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.01 110.48 3.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.763 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.83 -9.15 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.07 161.78 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.26 67.62 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.58 -34.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -57.64 171.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 10.9 mt -91.85 145.82 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -111.17 102.0 10.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 8.6 mt -77.12 143.11 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -137.46 123.29 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' LYS . 72.8 t -38.12 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.87 25.4 6.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.83 139.73 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.43 109.11 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 26' ' ' LEU . 3.1 mt -101.69 117.78 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.4 mt-10 -68.01 79.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' GLU . 88.6 t -39.39 117.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 36' ' ' GLY . 8.6 p -100.69 -51.72 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' N ' ' CG1' ' A' ' 35' ' ' VAL . . . -149.34 -155.97 6.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.57 135.07 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.4 t -81.28 -69.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.3 pt-20 -147.98 168.76 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 117.97 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.96 -12.6 69.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CE3' ' SD ' ' A' ' 53' ' ' MET . 76.2 m95 -124.24 124.85 43.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 41.9 m0 -115.64 167.19 11.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -120.73 131.99 54.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.05 -171.14 24.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.9 t -115.81 164.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 53.9 tp -146.96 87.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 59.07 46.32 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.35 -27.47 13.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -75.23 158.02 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -143.81 164.4 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.36 179.74 30.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.464 ' SD ' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -96.3 136.28 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.47 158.95 59.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.07 13.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 80.8 p -87.11 4.59 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -101.46 21.2 14.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -143.59 34.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.05 -171.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -147.39 106.87 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.34 168.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 4.6 mt -145.82 99.36 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.03 115.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.44 170.45 26.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.21 -58.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.046 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -67.28 -58.51 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.4 164.8 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 0.725 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.43 146.39 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.96 64.09 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -39.67 118.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.53 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.05 -130.76 4.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -130.93 141.03 50.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -125.43 144.28 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.1 m -143.67 151.26 39.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.97 145.22 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 31.5 t -81.79 119.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -96.5 -12.87 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 7.9 m-85 -146.45 125.36 12.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.483 ' CB ' HD13 ' A' ' 26' ' ' LEU . 17.2 t80 -136.78 118.18 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.79 128.84 52.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.99 115.98 4.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.55 0.81 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -137.91 -179.74 5.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -103.48 25.76 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 12.5 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.3 mt-10 -112.05 162.82 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 14.1 mt -96.31 146.13 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 35.3 tt0 -99.49 101.18 12.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.615 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 26.7 mt -74.16 136.13 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -141.16 113.75 8.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' LYS . 59.3 t -35.35 106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.79 -31.28 5.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 27.3 m-20 -62.94 162.24 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 HG21 ' CD ' ' A' ' 9' ' ' ARG . 17.9 mt -136.78 126.48 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.615 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 4.9 mt -101.69 115.47 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.03 85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ARG . 62.8 t -51.39 112.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.64 -35.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.22 -144.47 3.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.51 133.69 17.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.329 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.4 t -82.63 -73.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.4 pt-20 -143.79 171.05 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.42 111.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.21 -13.95 64.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 62.1 m95 -120.43 129.03 53.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -120.22 172.91 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.964 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.96 126.55 39.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -151.69 -160.31 9.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' OG1' ' A' ' 51' ' ' THR . 12.0 t -128.44 115.58 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 2.3 tp -60.51 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -142.6 61.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.2 -11.81 55.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -99.98 -165.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 0.722 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' CG2' ' A' ' 46' ' ' VAL . 1.1 m -165.89 147.45 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 176.01 -176.11 47.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.576 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 9.5 ptm -103.99 124.88 49.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 32' ' ' ILE . 22.0 p90 -130.46 155.75 80.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.59 8.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 83.6 p -78.95 -2.08 38.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -88.04 -5.76 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.61 31.17 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 56' ' ' SER . 2.6 pp -140.03 -174.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -145.32 106.08 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 165.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.2 mt -141.94 170.22 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -178.71 113.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.94 160.1 33.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.98 39.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 p -175.2 128.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 p -136.95 -55.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -119.35 -57.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -91.85 165.68 13.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.86 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -89.18 142.74 27.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -119.32 79.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -99.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -133.74 159.78 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -137.76 145.77 42.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' CA ' HD12 ' A' ' 62' ' ' LEU . 27.3 p -136.54 158.49 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.7 tt0 -112.87 94.79 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.6 t -41.15 106.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -88.6 -18.35 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 8.1 m-85 -132.95 134.5 44.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 p -77.09 129.99 36.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.409 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 63.3 t80 -124.3 143.67 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mt -111.65 126.67 28.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.04 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.09 -5.5 22.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -138.21 169.42 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.9 23.37 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 4.62 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.1 mt-10 -104.82 176.87 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -107.66 149.1 28.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 39.0 tt0 -103.82 100.67 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.0 mt -75.01 129.02 36.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -128.51 117.69 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.8 t -34.62 112.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.32 -36.41 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -45.27 144.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.3 mt -118.31 105.26 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 2.0 mt -90.05 129.02 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.47 73.42 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' GLU . 96.4 t -38.99 111.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 36' ' ' GLY . 23.1 m -97.92 -44.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -149.98 -165.74 12.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.95 131.27 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.7 -66.24 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.2 pt-20 -153.62 172.85 16.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.97 115.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.34 -5.03 84.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 39' ' ' GLU . 75.1 m95 -127.49 128.93 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 37.7 m0 -119.39 163.96 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.04 119.69 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.89 -165.94 12.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 4.1 t -119.17 163.91 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 63.9 tp -146.0 88.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 62.7 38.51 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.34 -25.87 26.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.04 153.39 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.36 154.6 50.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.532 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.84 165.49 21.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.407 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -83.67 132.21 34.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.014 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 3.7 p90 -134.85 156.84 78.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 26.7 p -81.03 2.52 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.06 10.22 34.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.85 40.7 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.57 -172.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -148.45 100.21 3.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -141.54 107.74 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -108.8 124.43 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.54 160.36 3.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.51 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -124.15 124.03 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t 46.06 80.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.26 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -160.12 153.84 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.75 85.71 0.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.71 114.64 19.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -120.59 138.21 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 34' ' ' VAL . . . 92.0 124.66 3.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -96.92 173.97 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 mtm180 -116.62 145.85 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 34' ' ' VAL . 3.7 m -148.23 144.6 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -102.06 136.12 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 47.4 t -68.5 111.11 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -84.54 -25.31 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -141.45 121.74 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -58.42 142.56 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.478 ' CB ' HD13 ' A' ' 26' ' ' LEU . 31.9 t80 -135.12 120.3 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -87.03 127.15 60.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.99 111.0 3.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 11.97 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -134.49 -175.83 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 29.43 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.29 24.1 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 1.4 mm-40 -115.1 156.65 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.4 mt -91.63 147.34 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.86 97.05 7.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 21.3 mt -71.46 134.25 46.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.01 113.85 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.3 t -35.16 107.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.61 -37.34 3.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -56.7 142.8 38.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -115.35 119.38 61.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -100.99 122.72 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.48 98.08 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 39.8 t -51.72 112.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 36' ' ' GLY . 31.5 m -100.72 -42.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -157.18 -162.27 11.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' OE1' ' NE1' ' A' ' 43' ' ' TRP . 13.4 tt0 -133.64 130.89 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 53' ' ' MET . 17.6 t -80.16 -74.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.8 pt-20 -144.54 174.66 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.75 116.67 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.17 -5.59 84.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ3' ' SD ' ' A' ' 53' ' ' MET . 72.4 m95 -125.07 128.39 48.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -120.55 169.47 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -122.47 123.99 42.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -144.67 -173.44 16.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.7 t -119.11 135.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.4 tp -112.69 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 60.75 55.68 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -32.09 4.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 175.73 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -157.1 157.19 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.42 170.42 27.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -86.13 135.61 33.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.96 155.29 70.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.12 13.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.477 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.4 t -89.5 12.43 16.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.39 12.2 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -138.72 34.37 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.05 -173.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' CD ' ' HB2' ' A' ' 13' ' ' ALA . 3.2 ptmt -150.45 105.26 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.75 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -143.04 164.6 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.13 151.74 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.7 167.49 13.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 76.42 3.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -73.14 150.62 42.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -81.49 107.11 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -131.92 -56.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.01 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.76 -68.98 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.44 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.91 103.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.89 119.8 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.03 153.76 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -129.42 146.22 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 34' ' ' VAL . 8.4 m -149.09 148.33 29.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 7.7 tt0 -101.28 151.72 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' OD1' ' A' ' 30' ' ' ASP . 2.6 t -95.13 129.35 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -103.43 -18.34 14.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.2 m-85 -137.86 118.59 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.8 p -60.86 133.08 55.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CB ' HD13 ' A' ' 26' ' ' LEU . 27.7 t80 -124.41 126.01 45.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -98.17 129.1 31.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.72 5.54 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.35 -157.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.63 20.03 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -139.29 14.01 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 16' ' ' TYR . 1.6 mt-10 -107.67 159.45 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.3 mt -92.09 147.34 23.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' O ' HD21 ' A' ' 47' ' ' LEU . 40.5 tt0 -103.35 97.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 12.9 mt -74.25 142.99 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.36 120.52 12.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.5 t -36.14 107.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.04 27.79 5.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' OD1' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -94.29 170.63 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -146.22 91.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 4.0 mt -91.41 113.87 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 84.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 75.6 t -44.53 112.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 36' ' ' GLY . 31.3 m -97.93 -45.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -151.86 -142.02 3.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.95 137.66 18.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.9 -72.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 14.0 pt-20 -146.41 173.66 12.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 116.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.21 -6.87 82.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.575 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 66.5 m95 -125.21 129.99 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 40.9 m0 -120.55 166.66 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -122.43 128.47 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.8 -166.19 13.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 6.8 t -125.61 128.62 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 25' ' ' GLU . 62.4 tp -103.74 83.39 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 62.21 55.62 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.08 -32.86 4.71 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -64.49 179.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 m -160.94 151.53 18.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.54 -172.83 43.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.575 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 ptm -109.38 124.8 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.477 ' CE1' HG21 ' A' ' 32' ' ' ILE . 36.6 p90 -131.28 155.67 81.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.04 12.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 75.5 p -84.33 8.22 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.44 17.5 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -141.37 34.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -142.35 -172.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 8.0 ptmt -146.83 105.34 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -47.06 170.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -141.84 113.18 7.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.28 93.39 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.65 161.5 12.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 86.55 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.62 79.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -58.06 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -50.6 -59.66 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m 57.02 171.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.45 -87.55 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -76.36 152.4 36.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -148.85 99.63 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.81 79.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -129.86 169.74 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CG ' ' HG3' ' A' ' 33' ' ' GLU . 4.7 mtm180 -144.75 147.01 32.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -137.2 162.41 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -116.35 92.06 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.4 t -38.16 115.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -99.47 -15.36 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -133.62 123.74 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 p -67.48 130.04 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.0 t80 -127.06 123.61 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -94.65 128.87 38.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.99 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.32 7.25 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.98 -173.14 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -112.45 28.62 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.7 19.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -113.98 164.74 13.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt -99.01 148.26 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 43.6 tt0 -101.08 98.5 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 12.3 mt -74.96 133.24 41.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.9 mtpt -136.0 116.21 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 27' ' ' LYS . 85.1 t -32.76 109.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.0 -27.61 8.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.14 135.28 53.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -108.28 97.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.4 mt -84.53 109.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 9' ' ' ARG . 1.2 mt-10 -66.43 81.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.1 t -44.86 111.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 36' ' ' GLY . 26.3 m -97.41 -44.4 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 35' ' ' VAL . . . -151.68 -147.26 4.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -150.64 137.88 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -83.33 -71.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.1 pt-20 -147.5 173.88 12.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.52 118.66 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.88 -3.98 86.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.429 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.6 m95 -128.03 127.54 43.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 36.1 m0 -118.53 172.31 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.25 123.14 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.06 -165.43 11.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 5.8 t -124.3 137.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 59.6 tp -114.27 87.77 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 62.28 47.48 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 -31.15 6.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 176.19 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -154.02 152.85 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 164.4 163.26 17.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.17 130.93 35.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -133.52 156.99 79.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 131.03 13.81 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 43' ' ' TRP . 58.3 p -86.08 5.83 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -100.84 14.35 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -138.52 35.95 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -139.79 -173.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HD2' ' CB ' ' A' ' 13' ' ' ALA . 9.6 ptmt -149.24 99.25 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.21 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 11' ' ' GLN . 4.6 mt -144.94 93.41 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -91.52 144.2 25.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.14 157.66 7.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 80.06 2.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.66 111.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -59.72 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -139.84 -57.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.69 111.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.82 93.31 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -174.93 144.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -133.8 117.47 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -114.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -132.66 157.66 44.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -134.59 147.21 50.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.99 161.6 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 2.4 tt0 -117.39 96.37 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.0 t -40.12 115.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . . . -97.15 -8.3 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -147.43 125.56 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -67.56 135.97 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.487 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 30.2 t80 -131.45 122.94 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -91.25 127.98 49.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -80.81 7.83 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -137.01 -178.57 5.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -107.06 31.51 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -150.32 21.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.5 mt-10 -116.29 159.63 21.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 36.2 mt -94.81 144.32 25.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 32.7 tt0 -97.75 100.77 12.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 14.3 mt -74.51 136.83 42.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.08 118.33 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.8 t -34.89 111.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.98 -35.04 4.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -48.18 141.0 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 mt -115.97 106.89 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.9 mt -91.63 123.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -78.24 77.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 82.8 t -37.58 115.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 36' ' ' GLY . 4.2 p -105.11 -42.79 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -154.02 -169.48 18.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE2' ' CD1' ' A' ' 43' ' ' TRP . 11.6 tt0 -126.86 131.93 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.69 -64.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 42' ' ' TRP . 10.3 pt-20 -157.68 174.55 15.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.81 114.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.47 82.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CE3' ' HE2' ' A' ' 53' ' ' MET . 72.8 m95 -128.63 129.86 46.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.0 m0 -120.56 162.6 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -118.42 120.15 36.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.13 17.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.3 t -110.92 157.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 52.0 tp -141.1 91.37 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 57.52 48.84 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.81 5.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -69.97 165.4 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -148.86 143.65 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -178.71 -161.62 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.576 ' HE2' ' CE3' ' A' ' 42' ' ' TRP . 10.0 ptm -115.51 123.05 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 p90 -126.21 156.92 71.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 133.67 16.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.542 1.812 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 60.5 p -86.64 8.88 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.2 m120 -100.53 9.55 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' ASN . 6.7 m-85 -135.22 39.65 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.72 -171.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -154.48 99.9 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.59 158.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 11' ' ' GLN . 6.6 mt -147.54 94.15 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 p -60.08 147.16 40.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.64 -179.39 2.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 145.21 31.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -82.25 84.86 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -100.51 147.04 26.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.88 143.66 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -85.43 -60.27 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.33 80.4 1.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -109.08 86.16 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 p -162.73 128.87 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.049 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 34' ' ' VAL . . . 66.28 123.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 8.4 ptp180 -95.96 171.49 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 35.5 mtm180 -114.58 142.05 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 3.5 m -147.98 145.13 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -98.6 163.16 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 34.7 t -102.54 115.11 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -90.01 -16.35 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 2.1 m-85 -141.84 122.75 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -64.69 138.36 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.478 ' CB ' HD13 ' A' ' 26' ' ' LEU . 41.2 t80 -130.62 125.79 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.86 126.8 47.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.05 114.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.65 4.92 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.94 -170.26 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 25.13 11.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.57 16.21 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 4.0 mt-10 -110.73 161.38 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.5 mt -95.43 144.5 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 33.1 tt0 -99.46 98.6 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 16.1 mt -74.47 138.93 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.1 mtmt -140.47 119.47 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.7 t -35.66 102.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.53 28.65 4.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.79 143.21 43.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.8 mt -115.89 116.06 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.591 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 2.4 mt -99.33 104.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 1.9 mt-10 -59.13 81.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.513 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 22.4 t -40.09 118.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 36' ' ' GLY . 3.8 p -110.86 -38.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' N ' HG11 ' A' ' 35' ' ' VAL . . . -163.64 -167.08 23.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 139.46 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.07 -68.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.4 pt-20 -143.4 163.71 32.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.54 123.92 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.83 -8.28 78.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 83.1 m95 -129.0 124.77 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -115.44 172.36 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -130.29 120.9 25.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.41 -166.15 12.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' OG1' ' A' ' 51' ' ' THR . 67.4 t -123.2 121.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 1.9 tp -72.36 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.551 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.1 OUTLIER -158.13 66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -19.1 56.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -91.77 -164.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' CG2' ' A' ' 46' ' ' VAL . 1.2 m -170.51 145.54 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.485 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -179.66 -171.11 42.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.485 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 5.9 ptm -110.13 116.57 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CE1' HG23 ' A' ' 32' ' ' ILE . 46.6 p90 -118.91 154.95 53.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 131.89 14.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -85.1 9.69 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.59 20.61 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -148.9 33.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.29 -172.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -147.71 106.63 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 3.1 mp0 -54.98 168.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 4.7 mt -146.24 155.49 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m 51.22 72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.98 157.71 20.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 76.35 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -67.66 103.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -110.77 97.79 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -134.85 92.5 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -104.64 -56.27 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.97 -86.65 0.28 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.46 159.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -116.79 115.54 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 111.01 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 2.0 mpt_? -97.5 158.12 15.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -129.16 144.7 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.5 m -150.51 149.25 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -103.27 139.34 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.9 t -76.84 111.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -83.78 -24.59 30.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.4 m-85 -141.48 120.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 p -58.82 143.48 47.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 24.3 t80 -134.96 111.87 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -82.17 127.45 71.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.02 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -4.4 16.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -128.89 172.08 11.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.93 75.73 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.61 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.4 mt-10 -65.72 151.44 46.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.3 mt -78.8 143.0 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.36 98.53 9.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 19.1 mt -72.3 135.47 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -135.11 118.16 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.4 t -36.95 108.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.19 -35.36 4.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.0 137.58 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mt -112.61 123.8 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 33' ' ' GLU . 2.9 mt -107.73 141.53 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -96.56 84.85 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 80.5 t -44.63 110.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG21 ' N ' ' A' ' 36' ' ' GLY . 32.2 m -95.24 -45.28 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' GLU . . . -151.56 163.74 30.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.73 124.88 50.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.59 -69.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.6 pt-20 -147.27 167.7 23.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.96 116.88 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 -11.82 70.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.3 m95 -124.56 127.01 46.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 47.3 m0 -118.34 -177.28 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.1 tt0 -144.79 131.93 20.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.14 -167.02 16.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.2 163.77 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 37.6 tp -146.37 110.35 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 14.4 p30 46.94 24.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.88 -36.29 4.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.24 172.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 52' ' ' GLY . 99.5 m -149.67 155.77 40.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.59 179.54 37.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.443 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 1.7 ptp -96.3 144.02 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -148.52 156.14 42.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.08 16.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 4.7 p -89.82 20.42 4.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -110.31 18.44 19.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -145.35 32.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.05 -172.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 104.89 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.07 164.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 3.4 mt -144.05 114.6 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.67 156.49 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.31 172.01 46.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.8 m 47.54 80.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -160.22 140.55 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.48 132.88 35.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.65 95.55 5.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -72.54 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -48.62 121.42 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -145.65 86.72 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.05 -120.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 8.6 mtt180 -108.44 162.59 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -136.17 143.84 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.5 p -137.65 160.49 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' HD13 ' A' ' 62' ' ' LEU . 1.8 tt0 -116.52 97.37 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 42.1 t -38.91 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' C ' ' CD1' ' A' ' 14' ' ' PHE . . . -90.19 -7.61 53.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.5 m-85 -147.67 123.59 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.8 p -66.08 131.71 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.48 ' CB ' HD12 ' A' ' 26' ' ' LEU . 35.3 t80 -128.09 126.44 41.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -96.83 127.9 37.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.93 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 2.12 14.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -138.62 177.29 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -101.15 28.25 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.56 13.98 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -114.57 163.22 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -95.66 149.72 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 41.7 tt0 -104.08 98.0 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 13.5 mt -74.0 132.71 42.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 28' ' ' VAL . 11.8 mttt -133.19 117.43 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 27' ' ' LYS . 84.6 t -33.71 110.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.2 -34.36 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.29 136.86 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.09 99.07 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.2 mt -81.76 120.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -76.53 80.97 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.536 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 73.0 t -43.08 110.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 m -99.35 -35.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.36 -152.46 6.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.83 125.9 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.11 -76.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' OE2' ' CG ' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -148.0 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.28 119.6 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.72 -0.33 89.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CZ3' ' HE3' ' A' ' 53' ' ' MET . 86.2 m95 -130.77 124.64 31.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 32.0 m0 -117.85 167.6 11.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -121.84 127.25 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.22 -174.39 25.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.2 t -111.08 165.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 65.6 tp -149.32 90.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 59.5 48.7 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.91 -35.86 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.42 177.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.6 m -157.06 169.05 25.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.85 -167.34 34.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.569 ' HE3' ' CZ3' ' A' ' 42' ' ' TRP . 11.5 ptm -115.14 121.85 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.44 157.73 60.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.72 22.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.9 t -86.13 -2.74 58.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.95 14.41 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.36 36.21 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.68 -172.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -151.09 98.64 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.32 157.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 11' ' ' GLN . 5.1 mt -144.94 138.93 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.51 150.87 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.48 155.12 29.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.4 23.13 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -64.08 144.16 57.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -164.75 -58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -135.79 136.67 40.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.046 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.37 167.07 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.67 71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.57 78.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.71 131.97 54.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 112.99 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' VAL . 9.2 ptm180 -115.11 -173.7 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -130.78 147.96 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.64 163.92 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 108.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' N ' HD13 ' A' ' 62' ' ' LEU . 4.0 tt0 -120.54 100.57 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 27' ' ' LYS . 24.2 t -41.92 116.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.08 -12.44 17.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 m-85 -140.06 123.02 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 p -66.02 130.18 42.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' CB ' HD13 ' A' ' 26' ' ' LEU . 39.2 t80 -128.24 119.19 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.44 125.7 62.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -7.87 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -134.74 173.46 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -96.13 22.9 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.32 4.14 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.89 159.77 16.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -88.94 146.04 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 31.3 tt0 -101.18 97.54 8.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 16' ' ' TYR . 16.9 mt -70.54 128.7 37.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -129.86 114.6 16.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.1 t -34.88 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.93 -36.41 3.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CB ' ' A' ' 27' ' ' LYS . 1.8 m-20 -50.43 137.51 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.7 mt -110.56 103.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.534 HG22 ' CE1' ' A' ' 54' ' ' PHE . 1.3 mt -84.21 115.07 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' VAL . 3.3 mt-10 -72.27 77.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ARG . 60.3 t -38.79 112.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 36' ' ' GLY . 24.7 m -99.13 -43.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -152.51 -150.84 5.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -151.88 140.51 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 37' ' ' GLU . 45.7 t -88.57 -72.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 42' ' ' TRP . 13.5 pt-20 -145.87 171.96 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.53 121.76 5.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.29 84.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 83.0 m95 -128.27 126.77 41.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 37.4 m0 -120.32 172.43 7.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -126.39 121.49 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.13 -175.49 22.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 1.9 t -109.88 164.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 56.0 tp -147.09 113.14 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.7 p30 47.13 24.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 110.99 -36.23 4.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -61.73 178.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -151.54 159.44 44.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 166.21 -165.24 38.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.537 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 10.8 ptm -119.74 118.48 30.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' HG22 ' A' ' 32' ' ' ILE . 26.0 p90 -119.57 158.27 49.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 125.11 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.511 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 94.3 p -73.3 -5.19 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -87.52 10.15 18.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.46 34.47 3.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.11 -173.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.36 99.03 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . 2.0 mp0 -39.94 157.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 11' ' ' GLN . 4.9 mt -145.04 117.2 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -67.52 155.91 37.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.14 161.99 31.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.91 5.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 p -125.42 157.47 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.36 110.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.32 144.05 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m 57.85 109.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.4 71.34 0.61 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p 49.22 85.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 0.729 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -114.65 98.37 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.9 93.48 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.37 151.64 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.3 143.6 51.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.2 m -149.17 148.32 29.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -99.86 150.84 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 13' ' ' ALA . 25.4 t -95.12 136.0 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -107.83 -22.08 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -134.29 128.48 33.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.9 m -63.98 130.19 43.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' CB ' HD12 ' A' ' 26' ' ' LEU . 13.5 t80 -121.82 124.41 44.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -99.72 130.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.455 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.0 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.23 7.38 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.34 178.09 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -103.94 31.12 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -149.64 20.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -113.36 174.18 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -106.87 147.85 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.05 99.4 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.0 mt -74.75 145.6 42.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.4 mttt -136.1 119.92 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.3 t -36.54 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.32 23.19 6.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.05 153.07 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.2 mt -125.82 88.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.1 mt -80.37 140.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.7 mt-10 -93.47 73.3 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLU . 98.9 t -39.74 117.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 m -100.32 -47.62 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.04 -151.05 5.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.62 136.18 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -82.61 -70.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 10.4 pt-20 -148.52 172.61 14.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.46 113.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.21 -12.75 67.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 75.7 m95 -121.35 127.48 51.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.0 m0 -119.69 163.92 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 107.973 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.57 131.8 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -168.78 27.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 38.3 t -114.95 163.88 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 10.2 tp -120.29 -76.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.87 44.82 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.13 -10.02 56.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.34 -158.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.78 149.19 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.369 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.519 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 171.84 166.06 29.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.86 129.07 34.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.06 156.03 80.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.48 16.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.553 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 15.3 p -88.99 5.31 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.92 9.97 40.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.03 31.45 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.88 -171.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -150.38 106.1 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.1 mp0 -53.08 165.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.5 mt -142.86 109.01 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.69 92.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 174.1 49.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 93.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.2 p -175.99 132.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.0 p -123.18 147.86 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 160.53 18.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -155.21 166.65 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -99.54 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.05 71.29 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 0.768 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -163.61 136.47 5.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.62 125.77 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' VAL . 80.9 mtt180 -104.33 160.4 14.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -126.26 142.73 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 m -149.91 150.98 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.274 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -104.27 164.19 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 53.4 t -100.96 133.24 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -108.87 -15.71 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 1.7 m-85 -134.49 134.5 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.9 p -69.31 142.44 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.517 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 27.8 t80 -142.93 129.53 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -102.92 130.04 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -75.01 116.5 4.6 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.65 4.87 14.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -142.17 176.46 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -99.89 32.2 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.48 17.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.6 mt-10 -116.05 171.46 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 15.4 mt -100.68 148.11 25.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -106.08 97.84 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 6.8 mt -81.09 138.36 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -135.58 45.34 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 t 37.27 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.22 37.85 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 31.7 m-20 -122.75 140.5 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.51 112.3 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.482 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.4 mt -102.0 112.03 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.9 mt-10 -66.37 78.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.3 t -37.68 113.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 36' ' ' GLY . 9.3 p -101.45 -47.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -151.72 -167.67 15.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -135.81 129.89 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.92 -72.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.6 pt-20 -143.3 164.85 29.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 120.14 3.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.96 -14.99 64.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.591 ' CE3' ' HE2' ' A' ' 53' ' ' MET . 79.2 m95 -124.92 130.19 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m0 -119.39 175.17 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -128.42 126.52 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -153.08 -172.31 21.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 2.2 t -119.3 128.34 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 50' ' ' LYS . 36.9 tp -102.57 109.75 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.2 p30 47.91 24.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 116.89 -43.66 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.9 tptt -61.07 156.18 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -122.18 146.01 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.512 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.56 151.15 7.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.591 ' HE2' ' CE3' ' A' ' 42' ' ' TRP . 28.0 ptm -82.22 133.41 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -135.39 160.95 66.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.7 12.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -84.49 8.95 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -103.28 14.85 30.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.15 39.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.6 -172.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 106.28 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 mp0 -54.58 165.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 3.7 mt -144.33 -177.05 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -179.15 161.19 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.02 -174.29 13.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t 61.73 159.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -126.32 -58.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -139.95 151.35 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.62 78.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.87 -70.16 2.78 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -112.81 89.84 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 83.15 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -78.3 126.24 30.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.1 131.56 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.1 m -135.25 148.38 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -99.99 147.18 25.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 45.5 t -93.18 117.82 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -89.86 -21.11 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 3.5 m-85 -133.37 121.01 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 p -62.34 134.09 55.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 41.2 t80 -126.03 140.95 52.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -111.1 130.01 23.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.95 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -81.1 8.21 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -140.0 -178.18 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.04 31.74 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.83 19.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.2 mt-10 -115.74 169.26 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -104.39 148.61 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 40.0 tt0 -102.66 99.88 9.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 8.1 mt -76.94 140.62 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -138.53 119.06 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.7 t -35.06 100.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 109.92 30.09 3.57 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -109.05 144.16 37.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 0.71 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mt -117.27 112.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 26' ' ' LEU . 2.5 mt -104.66 119.69 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -74.09 77.78 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLU . 24.0 t -39.38 111.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 36' ' ' GLY . 13.1 p -92.17 -44.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 35' ' ' VAL . . . -149.09 178.01 26.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.13 102.7 10.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.481 HG21 ' CB ' ' A' ' 42' ' ' TRP . 7.5 m -53.5 -61.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 42' ' ' TRP . 3.8 pt-20 -163.47 -173.04 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 124.88 25.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.38 -0.32 85.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.647 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 43.5 m95 -142.36 162.58 35.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CD1' ' O ' ' A' ' 42' ' ' TRP . 17.7 m0 -151.61 178.21 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 11.0 tt0 -132.24 129.02 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.79 -170.9 23.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 2.4 t -110.32 156.86 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 60.6 tp -140.69 91.83 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 55.89 49.49 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.99 -27.92 8.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -72.24 175.84 5.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.6 m -155.19 160.73 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 160.39 -171.91 36.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.1 ptm -112.8 118.62 35.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -115.01 157.31 43.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.14 13.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 12.4 t -87.68 15.2 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -109.97 14.49 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -143.69 36.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.53 -172.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 13' ' ' ALA . 11.3 pttt -149.89 105.71 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.369 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -50.06 170.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -146.5 130.76 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.9 p -168.47 112.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 149.62 -176.76 28.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.31 3.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m 64.92 128.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 p -59.49 139.8 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 60.42 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.24 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.78 -61.31 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 100.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.02 148.44 41.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.0 120.21 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -123.19 153.13 40.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.774 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -127.2 143.77 51.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.0 m -149.87 145.49 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' N ' HD13 ' A' ' 62' ' ' LEU . 27.1 tt0 -107.83 116.96 32.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 27' ' ' LYS . 70.7 t -55.48 141.23 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -119.18 -4.25 10.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 10.9 m-85 -152.05 119.63 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -61.18 127.3 30.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -116.72 123.12 46.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -90.71 123.07 66.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.98 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 0.68 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -130.2 -175.52 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.1 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.7 12.95 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 5.5 mt-10 -109.42 153.72 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -87.59 145.41 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 48.5 tt0 -99.11 98.94 9.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 18.7 mt -72.56 151.02 42.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 28' ' ' VAL . 5.1 mtpt -150.88 96.66 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 27' ' ' LYS . 3.6 p -28.85 100.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 127.97 -3.67 6.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 64.3 m-20 -98.15 139.93 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -105.74 124.12 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -107.59 118.42 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG3' ' NH1' ' A' ' 9' ' ' ARG . 1.7 mt-10 -70.19 74.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.8 t -39.56 110.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 36' ' ' GLY . 32.6 m -93.89 -44.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -151.41 -155.87 7.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -145.08 138.82 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.29 -71.72 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.76 161.76 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.36 142.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . 61.75 17.26 53.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.572 ' CE3' ' HE3' ' A' ' 53' ' ' MET . 67.8 m95 -151.91 131.69 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 46.0 m0 -124.51 175.85 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 107.993 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -126.62 123.36 37.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.53 -169.97 19.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.2 t -113.6 164.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 28.3 tp -152.39 106.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 10.6 p30 50.91 21.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.39 -23.23 23.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' LEU . 3.8 tttp -77.71 131.55 37.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 52' ' ' GLY . 3.0 m -113.22 154.12 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 168.0 -168.6 40.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.572 ' HE3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 ptm -110.97 121.12 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -124.49 158.94 59.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.487 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.3 p -99.96 5.47 45.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -90.74 -32.85 15.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.04 25.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 56' ' ' SER . 2.7 pp -140.31 -171.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 104.03 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.74 159.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -142.56 133.52 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -169.96 171.94 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.17 171.7 18.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 139.44 24.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -80.23 -58.42 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.61 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -126.14 127.36 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.049 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 157.94 44.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.09 77.25 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -108.78 132.42 54.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.27 89.33 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.59 -131.62 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.35 144.16 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 4.6 mtm180 -119.38 142.78 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.2 m -150.46 147.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -99.89 148.45 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 52.5 t -90.53 119.59 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -94.54 -24.95 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 2.3 m-85 -133.11 120.35 21.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.2 p -62.57 141.4 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.478 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 32.8 t80 -134.68 120.82 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.65 126.86 58.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.06 114.15 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -74.79 0.44 15.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.66 -174.08 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -110.14 23.75 13.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.34 11.58 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.0 mt-10 -109.05 161.45 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.2 mt -94.45 147.71 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 39.0 tt0 -100.53 98.5 9.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 16' ' ' TYR . 17.1 mt -73.58 135.65 43.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' VAL . 3.0 mtpt -138.25 117.6 12.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.5 t -35.96 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.74 -36.37 3.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.69 141.82 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -119.41 116.89 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -97.27 137.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -92.67 78.26 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLU . 16.7 t -40.04 109.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 36' ' ' GLY . 19.0 m -88.51 -39.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' N ' HG21 ' A' ' 35' ' ' VAL . . . -152.01 -161.67 10.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.133 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.8 tt0 -129.82 105.25 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 42' ' ' TRP . 16.2 m -58.65 -58.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 42' ' ' TRP . 3.9 pt-20 -166.18 -172.79 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 122.93 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -4.09 81.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m95 -139.29 163.35 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 42' ' ' TRP . 22.6 m0 -150.38 -176.61 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.07 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' VAL . 1.2 tt0 -134.99 120.35 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.86 -171.18 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.08 163.39 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 55.8 tp -147.37 111.34 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 12.6 p30 48.38 23.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 111.96 -33.03 5.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -66.71 171.95 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 52' ' ' GLY . 1.1 m -140.37 164.63 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 154.78 174.97 25.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.1 ptp -101.55 127.0 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CE1' HG21 ' A' ' 32' ' ' ILE . 32.6 p90 -122.19 158.98 53.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 15.6 p -84.22 8.59 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -106.42 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -151.38 35.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.78 -172.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -148.88 105.16 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -49.74 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.2 mt -143.33 140.95 30.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -114.76 107.99 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.44 -178.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.5 t -153.71 -57.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m 63.09 98.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 33' ' ' GLU . 1.1 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 11.3 mtt180 -125.76 144.42 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 4.0 m -148.77 145.43 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.6 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.1 tt0 -98.73 134.83 41.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 40.3 t -75.82 119.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.442 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -92.97 -19.86 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 9.3 m-85 -137.33 127.58 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.5 m -69.74 138.98 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CB ' HD12 ' A' ' 26' ' ' LEU . 37.1 t80 -133.38 125.72 29.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.75 127.45 45.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.98 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -79.76 6.48 10.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -140.23 171.01 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.85 31.38 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.9 18.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -116.87 168.74 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -102.55 151.56 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.1 tt0 -104.9 100.2 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -76.24 139.2 41.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.28 116.61 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' LYS . 97.5 t -36.44 108.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.12 -17.62 14.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.04 148.08 47.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.99 115.86 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 26' ' ' LEU . 4.6 mt -102.32 125.5 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -79.66 87.0 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.79 111.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.504 HG22 ' HA2' ' A' ' 45' ' ' GLY . 16.0 m -95.17 -34.94 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.3 -149.29 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -145.09 125.53 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 53' ' ' MET . 31.4 t -73.8 -74.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 pt-20 -146.15 176.02 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 115.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.31 -5.12 85.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 76.1 m95 -125.01 127.4 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -119.98 170.55 9.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -125.07 128.47 48.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.88 -169.42 17.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.836 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.6 t -121.42 139.49 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 25' ' ' GLU . 65.0 tp -117.53 87.39 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 63.01 48.25 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.81 -31.86 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.087 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.651 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.41 177.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.836 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.0 m -158.82 151.31 21.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 167.05 166.83 26.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.35 131.75 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -137.86 156.8 74.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.563 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 126.63 10.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 60.7 p -86.11 11.67 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.84 14.69 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -137.58 33.19 2.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -141.39 -172.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 105.07 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.89 165.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 11' ' ' GLN . 1.7 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -141.75 145.01 34.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 12.5 m -150.04 148.1 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 62' ' ' LEU . 37.5 tt0 -94.0 148.51 22.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.615 ' HA ' HG22 ' A' ' 59' ' ' ILE . 41.6 t -89.46 115.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.98 -29.0 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 4.8 m-85 -129.89 122.98 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -64.99 143.29 58.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.9 t80 -135.91 125.45 25.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -93.33 127.75 45.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -81.29 8.65 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -143.72 164.83 29.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.19 35.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.28 21.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -119.87 168.65 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.6 mt -101.13 149.44 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' O ' HD21 ' A' ' 47' ' ' LEU . 54.3 tt0 -104.32 97.65 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.9 mt -74.34 138.65 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -138.86 116.79 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.4 t -36.06 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.34 35.08 2.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.44 136.52 54.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -107.2 116.81 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 4.1 mt -104.6 112.97 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.1 mt-10 -63.92 77.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.5 t -41.08 113.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 33' ' ' GLU . 34.3 m -94.75 -43.6 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.11 -149.25 5.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.8 tm-20 -139.14 134.94 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.7 t -84.77 -63.25 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' TRP . 10.0 pt-20 -160.93 164.36 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.08 129.91 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 69.37 15.4 70.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . 69.9 m95 -149.12 128.69 13.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.9 m0 -121.85 168.43 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.22 130.69 56.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -157.31 -172.68 24.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.8 t -117.45 147.11 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 25' ' ' GLU . 67.0 tp -128.36 89.01 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 63.23 47.21 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.93 -35.96 3.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.16 174.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.838 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.9 m -154.83 159.91 40.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 165.56 -174.37 41.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.565 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.1 ptm -106.17 125.15 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -130.78 157.75 76.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 131.29 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 87.8 p -86.71 -1.17 57.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.79 22.21 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -147.16 36.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.615 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.4 pp -141.25 -173.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -145.6 105.92 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.8 mp0 -54.07 169.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.3 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' VAL . 1.6 mpt_? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 14.5 mtm180 -119.38 143.45 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 5.4 m -148.71 146.91 28.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.3 tt0 -99.92 141.17 33.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.667 ' HA ' HG22 ' A' ' 59' ' ' ILE . 45.8 t -80.95 117.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -91.6 -19.48 22.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.2 m-85 -142.22 122.82 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -63.3 144.87 56.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.446 ' CB ' HD12 ' A' ' 26' ' ' LEU . 25.3 t80 -137.62 117.94 13.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -86.03 127.58 61.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.61 4.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -79.57 5.73 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.5 -179.53 5.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.23 30.54 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.08 19.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.65 163.35 15.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 51' ' ' THR . 21.8 mt -97.01 141.91 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.778 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.1 tt0 -98.24 100.52 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 55' ' ' PRO . 35.0 mt -72.46 139.74 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.0 mtpt -141.16 116.01 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 27' ' ' LYS . 99.1 t -36.6 105.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.57 -37.5 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 47' ' ' LEU . 18.3 m-20 -52.8 147.33 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.12 119.69 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.6 mt -103.18 124.42 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.05 81.41 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ARG . 67.4 t -40.49 118.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.46 -46.07 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.21 -173.87 20.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.6 tm-20 -125.63 132.64 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.5 t -81.56 -68.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 8.1 pt-20 -150.05 170.32 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.92 111.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 99.07 -16.35 59.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 71.0 m95 -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.7 m0 -119.88 166.97 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -121.49 126.36 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.67 -165.57 13.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.846 HG22 ' OG1' ' A' ' 51' ' ' THR . 3.0 t -117.4 152.03 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 25' ' ' GLU . 31.9 tp -135.41 94.05 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.78 33.68 12.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.85 -39.17 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.8 157.63 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.846 ' OG1' HG22 ' A' ' 46' ' ' VAL . 5.9 m -132.69 143.76 49.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -175.33 -173.67 41.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.536 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.8 ptm -107.91 124.77 50.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.75 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -128.75 157.51 75.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.08 128.96 11.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 24.8 p -87.44 13.38 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -106.04 14.44 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -140.23 35.2 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -141.2 -173.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -148.98 105.45 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.02 165.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.25 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.7 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 8.5 mtt-85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -105.12 143.02 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.9 m -142.22 145.63 34.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.2 tt0 -100.58 133.02 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 59' ' ' ILE . 46.9 t -70.92 124.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -98.41 -17.17 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 8.5 m-85 -140.33 137.18 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 36.9 m -75.82 134.44 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CB ' HD12 ' A' ' 26' ' ' LEU . 22.3 t80 -131.59 116.65 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -86.38 127.47 60.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.09 4.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.06 2.3 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -139.57 173.04 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.84 30.77 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.47 15.65 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.62 162.37 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.819 HD21 ' C ' ' A' ' 51' ' ' THR . 18.0 mt -95.49 144.36 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' O ' HD21 ' A' ' 47' ' ' LEU . 33.6 tt0 -99.09 100.12 11.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD11 ' HD2' ' A' ' 55' ' ' PRO . 22.1 mt -73.3 137.15 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -141.83 115.45 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.2 t -35.24 106.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.44 -36.66 3.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' HD11 ' A' ' 47' ' ' LEU . 6.2 m-20 -53.74 147.23 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -103.08 127.42 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.5 mt-10 -81.65 89.72 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 10' ' ' CYS . 18.1 t -47.3 113.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 33' ' ' GLU . 28.8 m -95.91 -41.43 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.71 -136.09 2.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -155.3 134.68 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' MET . 19.2 t -84.76 -73.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.1 pt-20 -144.57 173.03 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.48 115.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.47 -7.07 82.01 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 72.2 m95 -124.5 130.45 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 40.8 m0 -122.35 175.37 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -128.83 130.08 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -152.55 -169.81 18.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 50' ' ' LYS . 4.5 t -119.31 135.44 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 25' ' ' GLU . 64.5 tp -113.56 85.01 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 60.79 55.36 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.42 174.86 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.819 ' C ' HD21 ' A' ' 24' ' ' LEU . 18.2 m -157.33 149.35 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.508 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.31 -169.75 42.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.598 ' HB3' HG21 ' A' ' 38' ' ' VAL . 12.2 ptm -110.72 126.3 54.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' HG21 ' A' ' 32' ' ' ILE . 39.6 p90 -131.01 156.36 80.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 133.3 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 3.5 t -89.46 13.67 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.48 16.5 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.12 32.51 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.853 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.73 -172.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -151.67 104.89 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.639 ' O ' HD23 ' A' ' 62' ' ' LEU . 9.5 pt-20 -47.53 171.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 61' ' ' GLU . 14.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -122.64 148.05 45.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.1 m -148.39 148.1 29.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.274 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.1 tt0 -102.18 152.37 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 59' ' ' ILE . 68.9 t -96.13 117.73 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.61 -21.3 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.3 m-85 -131.04 120.69 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 p -62.55 124.45 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 17' ' ' LEU . 27.8 t80 -112.81 142.24 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 16' ' ' TYR . 9.8 mt -114.54 127.97 26.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.01 110.48 3.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.763 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.83 -9.15 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.07 161.78 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.26 67.62 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.58 -34.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -57.64 171.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 10.9 mt -91.85 145.82 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -111.17 102.0 10.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HB3' HG11 ' A' ' 12' ' ' VAL . 8.6 mt -77.12 143.11 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -137.46 123.29 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' LYS . 72.8 t -38.12 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.87 25.4 6.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 6.4 m-20 -104.83 139.73 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.43 109.11 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 46' ' ' VAL . 3.1 mt -101.69 117.78 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.4 mt-10 -68.01 79.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG21 ' SG ' ' A' ' 10' ' ' CYS . 88.6 t -39.39 117.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 36' ' ' GLY . 8.6 p -100.69 -51.72 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.519 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -149.34 -155.97 6.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -141.57 135.07 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.4 t -81.28 -69.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.3 pt-20 -147.98 168.76 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 117.97 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 92.96 -12.6 69.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CE3' ' SD ' ' A' ' 53' ' ' MET . 76.2 m95 -124.24 124.85 43.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 41.9 m0 -115.64 167.19 11.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -120.73 131.99 54.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.05 -171.14 24.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.539 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.9 t -115.81 164.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 53.9 tp -146.96 87.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 59.07 46.32 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.35 -27.47 13.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -75.23 158.02 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 46' ' ' VAL . 19.1 m -143.81 164.4 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.36 179.74 30.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -96.3 136.28 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.47 158.95 59.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.0 131.07 13.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 80.8 p -87.11 4.59 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -101.46 21.2 14.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -143.59 34.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' VAL . 2.5 pp -141.05 -171.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -147.39 106.87 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.34 168.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -125.43 144.28 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' ILE . 41.1 m -143.67 151.26 39.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.97 145.22 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.603 ' HA ' HG22 ' A' ' 59' ' ' ILE . 31.5 t -81.79 119.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -96.5 -12.87 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 7.9 m-85 -146.45 125.36 12.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CB ' HD12 ' A' ' 26' ' ' LEU . 17.2 t80 -136.78 118.18 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.79 128.84 52.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.99 115.98 4.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.55 0.81 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -137.91 -179.74 5.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -103.48 25.76 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 12.5 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.3 mt-10 -112.05 162.82 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD21 ' C ' ' A' ' 51' ' ' THR . 14.1 mt -96.31 146.13 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 35.3 tt0 -99.49 101.18 12.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 26.7 mt -74.16 136.13 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -141.16 113.75 8.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' LYS . 59.3 t -35.35 106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.79 -31.28 5.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD2' HD11 ' A' ' 47' ' ' LEU . 27.3 m-20 -62.94 162.24 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' CYS . 17.9 mt -136.78 126.48 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.9 mt -101.69 115.47 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.3 mt-10 -64.03 85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ARG . 62.8 t -51.39 112.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG22 ' HA2' ' A' ' 45' ' ' GLY . 15.0 m -101.64 -35.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.22 -144.47 3.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -149.51 133.69 17.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 53' ' ' MET . 13.4 t -82.63 -73.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.4 pt-20 -143.79 171.05 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.42 111.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 97.21 -13.95 64.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 62.1 m95 -120.43 129.03 53.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 44.4 m0 -120.22 172.91 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -128.96 126.55 39.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.69 -160.31 9.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.845 HG22 ' HG1' ' A' ' 51' ' ' THR . 12.0 t -128.44 115.58 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 ' OD2' ' A' ' 30' ' ' ASP . 2.3 tp -60.51 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -142.6 61.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.2 -11.81 55.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.6 tttt -99.98 -165.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 0.722 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.845 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -165.89 147.45 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.5 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 176.01 -176.11 47.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.576 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.5 ptm -103.99 124.88 49.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 32' ' ' ILE . 22.0 p90 -130.46 155.75 80.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 124.59 8.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 83.6 p -78.95 -2.08 38.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -88.04 -5.76 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.61 31.17 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.03 -174.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -145.32 106.08 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 165.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -137.76 145.77 42.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' C ' HD11 ' A' ' 62' ' ' LEU . 27.3 p -136.54 158.49 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' N ' HD11 ' A' ' 62' ' ' LEU . 1.7 tt0 -112.87 94.79 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.6 t -41.15 106.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.6 -18.35 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 8.1 m-85 -132.95 134.5 44.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 3.2 p -77.09 129.99 36.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' C ' HD23 ' A' ' 17' ' ' LEU . 63.3 t80 -124.3 143.67 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' C ' ' A' ' 16' ' ' TYR . 6.6 mt -111.65 126.67 28.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.04 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.09 -5.5 22.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -138.21 169.42 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.9 23.37 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 4.62 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.1 mt-10 -104.82 176.87 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -107.66 149.1 28.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.585 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -103.82 100.67 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.654 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.0 mt -75.01 129.02 36.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -128.51 117.69 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.8 t -34.62 112.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.32 -36.41 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.701 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -45.27 144.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.3 mt -118.31 105.26 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 54' ' ' PHE . 2.0 mt -90.05 129.02 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.47 73.42 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' GLU . 96.4 t -38.99 111.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 23.1 m -97.92 -44.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.98 -165.74 12.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -129.95 131.27 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.4 t -78.7 -66.24 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.2 pt-20 -153.62 172.85 16.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.97 115.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 89.34 -5.03 84.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 39' ' ' GLU . 75.1 m95 -127.49 128.93 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 37.7 m0 -119.39 163.96 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.04 119.69 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.89 -165.94 12.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' OG1' ' A' ' 51' ' ' THR . 4.1 t -119.17 163.91 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.701 HD11 ' OD2' ' A' ' 30' ' ' ASP . 63.9 tp -146.0 88.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 62.7 38.51 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.34 -25.87 26.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.04 153.39 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.643 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -133.36 154.6 50.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.531 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.84 165.49 21.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.67 132.21 34.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.014 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 32' ' ' ILE . 3.7 p90 -134.85 156.84 78.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 123.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 26.7 p -81.03 2.52 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.06 10.22 34.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.85 40.7 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.57 -172.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -148.45 100.21 3.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' C ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.473 ' HG3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 mtm180 -116.62 145.85 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.563 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.7 m -148.23 144.6 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.7 tt0 -102.06 136.12 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 59' ' ' ILE . 47.4 t -68.5 111.11 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.615 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -84.54 -25.31 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -141.45 121.74 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.7 p -58.42 142.56 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 31.9 t80 -135.12 120.3 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -87.03 127.15 60.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.99 111.0 3.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 11.97 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -134.49 -175.83 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 29.43 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.29 24.1 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 1.4 mm-40 -115.1 156.65 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.4 mt -91.63 147.34 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.86 97.05 7.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 55' ' ' PRO . 21.3 mt -71.46 134.25 46.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.01 113.85 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.3 t -35.16 107.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.61 -37.34 3.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 47' ' ' LEU . 38.7 m-20 -56.7 142.8 38.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -115.35 119.38 61.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -100.99 122.72 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -76.48 98.08 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 ' SG ' ' A' ' 10' ' ' CYS . 39.8 t -51.72 112.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.5 m -100.72 -42.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.18 -162.27 11.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' OE1' ' NE1' ' A' ' 43' ' ' TRP . 13.4 tt0 -133.64 130.89 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 53' ' ' MET . 17.6 t -80.16 -74.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.8 pt-20 -144.54 174.66 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.75 116.67 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.17 -5.59 84.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ3' ' SD ' ' A' ' 53' ' ' MET . 72.4 m95 -125.07 128.39 48.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -120.55 169.47 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.3 tt0 -122.47 123.99 42.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -144.67 -173.44 16.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG22 ' HG1' ' A' ' 51' ' ' THR . 4.7 t -119.11 135.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 30' ' ' ASP . 66.4 tp -112.69 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 60.75 55.68 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -32.09 4.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -69.01 175.73 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.728 ' HG1' HG22 ' A' ' 46' ' ' VAL . 24.9 m -157.1 157.19 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.42 170.42 27.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -86.13 135.61 33.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.96 155.29 70.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 131.12 13.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.4 t -89.5 12.43 16.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.39 12.2 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -138.72 34.37 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.05 -173.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -150.45 105.26 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.75 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 11' ' ' GLN . 10.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -129.42 146.22 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.4 m -149.09 148.33 29.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 7.7 tt0 -101.28 151.72 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.779 HG23 ' OD1' ' A' ' 30' ' ' ASP . 2.6 t -95.13 129.35 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.43 -18.34 14.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.2 m-85 -137.86 118.59 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.8 p -60.86 133.08 55.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.5 ' C ' HD22 ' A' ' 17' ' ' LEU . 27.7 t80 -124.41 126.01 45.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -98.17 129.1 31.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.72 5.54 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.35 -157.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.63 20.03 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -139.29 14.01 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 16' ' ' TYR . 1.6 mt-10 -107.67 159.45 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.3 mt -92.09 147.34 23.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.35 97.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB3' HG21 ' A' ' 12' ' ' VAL . 12.9 mt -74.25 142.99 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.36 120.52 12.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.5 t -36.14 107.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.04 27.79 5.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.779 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -94.29 170.63 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -146.22 91.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.0 mt -91.41 113.87 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -66.48 84.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.567 HG21 ' SG ' ' A' ' 10' ' ' CYS . 75.6 t -44.53 112.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.3 m -97.93 -45.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.86 -142.02 3.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -150.95 137.66 18.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.0 t -83.9 -72.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 14.0 pt-20 -146.41 173.66 12.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 116.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.21 -6.87 82.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 66.5 m95 -125.21 129.99 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 40.9 m0 -120.55 166.66 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -122.43 128.47 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.8 -166.19 13.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.798 HG22 ' OG1' ' A' ' 51' ' ' THR . 6.8 t -125.61 128.62 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.672 HD13 ' OD2' ' A' ' 30' ' ' ASP . 62.4 tp -103.74 83.39 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 62.21 55.62 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.08 -32.86 4.71 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.636 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.5 tptt -64.49 179.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.798 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.4 m -160.94 151.53 18.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.54 -172.83 43.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -109.38 124.8 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' A' ' 32' ' ' ILE . 36.6 p90 -131.28 155.67 81.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.3 Cg_endo -74.97 130.04 12.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 75.5 p -84.33 8.22 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.44 17.5 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -141.37 34.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -142.35 -172.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 8.0 ptmt -146.83 105.34 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -47.06 170.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HG3' ' A' ' 33' ' ' GLU . 4.7 mtm180 -144.75 147.01 32.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -137.2 162.41 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.817 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -116.35 92.06 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.4 t -38.16 115.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.895 ' HB2' ' HD2' ' A' ' 60' ' ' LYS . . . -99.47 -15.36 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.697 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -133.62 123.74 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 7.5 p -67.48 130.04 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.0 t80 -127.06 123.61 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -94.65 128.87 38.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.99 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.32 7.25 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.98 -173.14 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -112.45 28.62 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.7 19.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -113.98 164.74 13.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt -99.01 148.26 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 43.6 tt0 -101.08 98.5 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.663 HD11 ' HD2' ' A' ' 55' ' ' PRO . 12.3 mt -74.96 133.24 41.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.9 mtpt -136.0 116.21 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 27' ' ' LYS . 85.1 t -32.76 109.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.0 -27.61 8.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 47' ' ' LEU . 4.5 m-20 -56.14 135.28 53.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -108.28 97.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.4 mt -84.53 109.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.2 mt-10 -66.43 81.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.1 t -44.86 111.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 33' ' ' GLU . 26.3 m -97.41 -44.4 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.68 -147.26 4.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 2.6 tm-20 -150.64 137.88 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.6 t -83.33 -71.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.1 pt-20 -147.5 173.88 12.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.52 118.66 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.88 -3.98 86.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.429 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.6 m95 -128.03 127.54 43.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 36.1 m0 -118.53 172.31 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.2 tt0 -130.25 123.14 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -147.06 -165.43 11.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.674 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.8 t -124.3 137.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 30' ' ' ASP . 59.6 tp -114.27 87.77 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 62.28 47.48 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 -31.15 6.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.623 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.04 176.19 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.674 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -154.02 152.85 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 164.4 163.26 17.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.17 130.93 35.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 32' ' ' ILE . 39.4 p90 -133.52 156.99 79.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 131.03 13.81 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 43' ' ' TRP . 58.3 p -86.08 5.83 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -100.84 14.35 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -138.52 35.95 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -139.79 -173.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.895 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 9.6 ptmt -149.24 99.25 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -43.21 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -134.59 147.21 50.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.99 161.6 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.9 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.4 tt0 -117.39 96.37 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.0 t -40.12 115.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.851 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -97.15 -8.3 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -147.43 125.56 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 20.0 m -67.56 135.97 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.664 ' CB ' HD12 ' A' ' 26' ' ' LEU . 30.2 t80 -131.45 122.94 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.556 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -91.25 127.98 49.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -80.81 7.83 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -137.01 -178.57 5.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -107.06 31.51 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -150.32 21.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.5 mt-10 -116.29 159.63 21.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.89 HD21 ' C ' ' A' ' 51' ' ' THR . 36.2 mt -94.81 144.32 25.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 47' ' ' LEU . 32.7 tt0 -97.75 100.77 12.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.778 HD11 ' HD2' ' A' ' 55' ' ' PRO . 14.3 mt -74.51 136.83 42.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.08 118.33 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.8 t -34.89 111.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.98 -35.04 4.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' OD2' HD11 ' A' ' 47' ' ' LEU . 9.7 m-20 -48.18 141.0 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 mt -115.97 106.89 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.9 mt -91.63 123.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -78.24 77.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 82.8 t -37.58 115.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 44' ' ' GLU . 4.2 p -105.11 -42.79 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.02 -169.48 18.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE2' ' CD1' ' A' ' 43' ' ' TRP . 11.6 tt0 -126.86 131.93 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 53' ' ' MET . 16.5 t -79.69 -64.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 42' ' ' TRP . 10.3 pt-20 -157.68 174.55 15.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.81 114.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.59 -4.47 82.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' GLU . 72.8 m95 -128.63 129.86 46.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.0 m0 -120.56 162.6 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 35' ' ' VAL . 12.0 tt0 -118.42 120.15 36.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.13 17.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.3 t -110.92 157.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 25' ' ' GLU . 52.0 tp -141.1 91.37 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 57.52 48.84 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.81 5.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -69.97 165.4 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.89 ' C ' HD21 ' A' ' 24' ' ' LEU . 19.4 m -148.86 143.65 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.591 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -178.71 -161.62 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.0 ptm -115.51 123.05 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 p90 -126.21 156.92 71.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.03 133.67 16.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.542 1.812 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 60.5 p -86.64 8.88 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.2 m120 -100.53 9.55 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' ASN . 6.7 m-85 -135.22 39.65 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.72 -171.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -154.48 99.9 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.711 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -39.59 158.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 11' ' ' GLN . 6.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 34' ' ' VAL . 8.4 ptp180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 35.5 mtm180 -114.58 142.05 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.5 m -147.98 145.13 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.5 tt0 -98.6 163.16 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' HA ' HG22 ' A' ' 59' ' ' ILE . 34.7 t -102.54 115.11 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.01 -16.35 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 m-85 -141.84 122.75 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 78.5 p -64.69 138.36 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -130.62 125.79 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.86 126.8 47.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.05 114.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.65 4.92 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.94 -170.26 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 25.13 11.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.57 16.21 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 4.0 mt-10 -110.73 161.38 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 ' C ' ' A' ' 51' ' ' THR . 13.5 mt -95.43 144.5 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 33.1 tt0 -99.46 98.6 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.64 ' CD2' HD11 ' A' ' 32' ' ' ILE . 16.1 mt -74.47 138.93 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.1 mtmt -140.47 119.47 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.7 t -35.66 102.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.53 28.65 4.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' HD11 ' A' ' 47' ' ' LEU . 10.4 m-20 -111.79 143.21 43.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.8 mt -115.89 116.06 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.901 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.4 mt -99.33 104.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 1.9 mt-10 -59.13 81.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' SG ' ' A' ' 10' ' ' CYS . 22.4 t -40.09 118.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 44' ' ' GLU . 3.8 p -110.86 -38.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.64 -167.08 23.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -136.35 139.46 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.9 t -89.07 -68.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.4 pt-20 -143.4 163.71 32.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.54 123.92 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 87.83 -8.28 78.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.1 m95 -129.0 124.77 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 46.5 m0 -115.44 172.36 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 35' ' ' VAL . 1.2 tt0 -130.29 120.9 25.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.41 -166.15 12.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.926 HG22 ' OG1' ' A' ' 51' ' ' THR . 67.4 t -123.2 121.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 1.9 tp -72.36 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 16.9 p-10 -158.13 66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -19.1 56.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -91.77 -164.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.926 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.2 m -170.51 145.54 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.484 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -179.66 -171.11 42.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.83 ' HB3' HG21 ' A' ' 38' ' ' VAL . 5.9 ptm -110.13 116.57 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.901 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.6 p90 -118.91 154.95 53.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 131.89 14.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -85.1 9.69 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.59 20.61 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -148.9 33.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -139.29 -172.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -147.71 106.63 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.1 mp0 -54.98 168.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 61' ' ' GLU . 4.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 2.0 mpt_? . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -129.16 144.7 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.5 m -150.51 149.25 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt0 -103.27 139.34 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 59' ' ' ILE . 49.9 t -76.84 111.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -83.78 -24.59 30.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.4 m-85 -141.48 120.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 14.7 p -58.82 143.48 47.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.487 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.3 t80 -134.96 111.87 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -82.17 127.45 71.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.02 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.87 -4.4 16.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -128.89 172.08 11.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.93 75.73 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.61 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.4 mt-10 -65.72 151.44 46.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.3 mt -78.8 143.0 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.36 98.53 9.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 16' ' ' TYR . 19.1 mt -72.3 135.47 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -135.11 118.16 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.4 t -36.95 108.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.19 -35.36 4.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.658 ' OD2' HD11 ' A' ' 47' ' ' LEU . 2.1 m-20 -56.0 137.58 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mt -112.61 123.8 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.9 mt -107.73 141.53 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.56 84.85 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 80.5 t -44.63 110.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.2 m -95.24 -45.28 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' GLU . . . -151.56 163.74 30.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -107.73 124.88 50.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.2 t -70.59 -69.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.6 pt-20 -147.27 167.7 23.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.96 116.88 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 -11.82 70.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.3 m95 -124.56 127.01 46.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 47.3 m0 -118.34 -177.28 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.1 tt0 -144.79 131.93 20.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.14 -167.02 16.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.0 t -111.2 163.77 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.658 HD11 ' OD2' ' A' ' 30' ' ' ASP . 37.6 tp -146.37 110.35 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 46.94 24.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.88 -36.29 4.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.24 172.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 46' ' ' VAL . 99.5 m -149.67 155.77 40.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.59 179.54 37.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.443 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 1.7 ptp -96.3 144.02 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -148.52 156.14 42.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.08 16.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 4.7 p -89.82 20.42 4.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -110.31 18.44 19.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -145.35 32.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.05 -172.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 104.89 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.07 164.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.4 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.536 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 8.6 mtt180 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -136.17 143.84 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 30.5 p -137.65 160.49 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.699 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.8 tt0 -116.52 97.37 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.481 HG11 ' N ' ' A' ' 27' ' ' LYS . 42.1 t -38.91 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.19 -7.61 53.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -147.67 123.59 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 9.8 p -66.08 131.71 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.547 ' CB ' HD12 ' A' ' 26' ' ' LEU . 35.3 t80 -128.09 126.44 41.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -96.83 127.9 37.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.93 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 2.12 14.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -138.62 177.29 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -101.15 28.25 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.56 13.98 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -114.57 163.22 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -95.66 149.72 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.648 ' O ' HD21 ' A' ' 47' ' ' LEU . 41.7 tt0 -104.08 98.0 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 55' ' ' PRO . 13.5 mt -74.0 132.71 42.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 28' ' ' VAL . 11.8 mttt -133.19 117.43 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 27' ' ' LYS . 84.6 t -33.71 110.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.2 -34.36 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.756 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.0 m-20 -50.29 136.86 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' A' ' 9' ' ' ARG . 62.5 mt -112.09 99.07 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.2 mt -81.76 120.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 35' ' ' VAL . 5.3 mt-10 -76.53 80.97 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.536 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 73.0 t -43.08 110.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG22 ' HA2' ' A' ' 45' ' ' GLY . 9.5 m -99.35 -35.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.36 -152.46 6.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -151.83 125.9 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' ' 53' ' ' MET . 48.2 t -70.11 -76.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' OE2' ' CG ' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -148.0 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.28 119.6 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 83.72 -0.33 89.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CG ' ' OE2' ' A' ' 39' ' ' GLU . 86.2 m95 -130.77 124.64 31.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 32.0 m0 -117.85 167.6 11.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -121.84 127.25 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.721 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -156.22 -174.39 25.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.623 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.2 t -111.08 165.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.756 HD11 ' OD2' ' A' ' 30' ' ' ASP . 65.6 tp -149.32 90.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 59.5 48.7 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.91 -35.86 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' C ' ' HG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -65.42 177.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.623 ' HG1' HG22 ' A' ' 46' ' ' VAL . 27.6 m -157.06 169.05 25.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.85 -167.34 34.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.72 ' HB3' HG21 ' A' ' 38' ' ' VAL . 11.5 ptm -115.14 121.85 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 32' ' ' ILE . 24.4 p90 -123.44 157.73 60.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.664 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 137.72 22.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.9 t -86.13 -2.74 58.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.95 14.41 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.36 36.21 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.68 -172.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -151.09 98.64 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 mp0 -39.32 157.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 11' ' ' GLN . 5.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' VAL . 9.2 ptm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -130.78 147.96 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.64 163.92 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 108.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.822 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.0 tt0 -120.54 100.57 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.594 HG11 ' N ' ' A' ' 27' ' ' LYS . 24.2 t -41.92 116.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.08 -12.44 17.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.686 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 m-85 -140.06 123.02 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 p -66.02 130.18 42.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CB ' HD12 ' A' ' 26' ' ' LEU . 39.2 t80 -128.24 119.19 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.44 125.7 62.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -7.87 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -134.74 173.46 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -96.13 22.9 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.32 4.14 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.89 159.77 16.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 51' ' ' THR . 11.4 mt -88.94 146.04 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.702 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.3 tt0 -101.18 97.54 8.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 ' CB ' ' A' ' 16' ' ' TYR . 16.9 mt -70.54 128.7 37.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.86 114.6 16.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.1 t -34.88 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.93 -36.41 3.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.884 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.8 m-20 -50.43 137.51 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.7 mt -110.56 103.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.738 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.3 mt -84.21 115.07 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.3 mt-10 -72.27 77.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ARG . 60.3 t -38.79 112.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 33' ' ' GLU . 24.7 m -99.13 -43.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.51 -150.84 5.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -151.88 140.51 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 53' ' ' MET . 45.7 t -88.57 -72.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 42' ' ' TRP . 13.5 pt-20 -145.87 171.96 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.53 121.76 5.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.26 -5.29 84.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.0 m95 -128.27 126.77 41.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 37.4 m0 -120.32 172.43 7.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.2 tt0 -126.39 121.49 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -150.13 -175.49 22.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.709 HG22 ' OG1' ' A' ' 51' ' ' THR . 1.9 t -109.88 164.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.884 HD11 ' OD2' ' A' ' 30' ' ' ASP . 56.0 tp -147.09 113.14 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 47.13 24.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 110.99 -36.23 4.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -61.73 178.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.732 ' C ' HD21 ' A' ' 24' ' ' LEU . 21.1 m -151.54 159.44 44.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 166.21 -165.24 38.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.527 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.8 ptm -119.74 118.48 30.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 32' ' ' ILE . 26.0 p90 -119.57 158.27 49.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.95 125.11 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.51 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 94.3 p -73.3 -5.19 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -87.52 10.15 18.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.46 34.47 3.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.11 -173.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -149.36 99.03 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.0 mp0 -39.94 157.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.9 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.3 143.6 51.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.2 m -149.17 148.32 29.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.1 tt0 -99.86 150.84 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 59' ' ' ILE . 25.4 t -95.12 136.0 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -107.83 -22.08 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -134.29 128.48 33.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 28' ' ' VAL . 57.9 m -63.98 130.19 43.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' C ' HD22 ' A' ' 17' ' ' LEU . 13.5 t80 -121.82 124.41 44.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -99.72 130.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.0 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.23 7.38 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.34 178.09 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -103.94 31.12 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -149.64 20.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -113.36 174.18 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -106.87 147.85 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.05 99.4 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.0 mt -74.75 145.6 42.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.4 mttt -136.1 119.92 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.65 HG23 ' OG ' ' A' ' 15' ' ' SER . 95.3 t -36.54 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.32 23.19 6.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.873 ' OD2' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.05 153.07 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.2 mt -125.82 88.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.873 HD12 ' OD2' ' A' ' 30' ' ' ASP . 1.1 mt -80.37 140.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.7 mt-10 -93.47 73.3 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLU . 98.9 t -39.74 117.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' GLU . 16.2 m -100.32 -47.62 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -146.04 -151.05 5.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.62 136.18 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.9 t -82.61 -70.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 10.4 pt-20 -148.52 172.61 14.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.46 113.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.21 -12.75 67.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 75.7 m95 -121.35 127.48 51.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.0 m0 -119.69 163.92 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 107.973 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.57 131.8 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -168.78 27.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.736 HG22 ' HG1' ' A' ' 51' ' ' THR . 38.3 t -114.95 163.88 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.52 HD13 ' OD1' ' A' ' 30' ' ' ASP . 10.2 tp -120.29 -76.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.87 44.82 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.13 -10.02 56.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.34 -158.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.736 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -171.78 149.19 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.369 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.519 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 171.84 166.06 29.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -82.86 129.07 34.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.06 156.03 80.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.48 16.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.552 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 15.3 p -88.99 5.31 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.92 9.97 40.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.03 31.45 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.608 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -141.88 -171.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -150.38 106.1 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.1 mp0 -53.08 165.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' VAL . 80.9 mtt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -126.26 142.73 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 m -149.91 150.98 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.274 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HB2' HD11 ' A' ' 62' ' ' LEU . 5.6 tt0 -104.27 164.19 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.835 HG11 ' HB3' ' A' ' 26' ' ' LEU . 53.4 t -100.96 133.24 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.69 ' C ' HG22 ' A' ' 28' ' ' VAL . . . -108.87 -15.71 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.7 m-85 -134.49 134.5 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.699 ' N ' HG23 ' A' ' 28' ' ' VAL . 99.9 p -69.31 142.44 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.734 ' CB ' HD12 ' A' ' 26' ' ' LEU . 27.8 t80 -142.93 129.53 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -102.92 130.04 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -75.01 116.5 4.6 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.65 4.87 14.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -142.17 176.46 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -99.89 32.2 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.48 17.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' CD ' ' HH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -116.05 171.46 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 47' ' ' LEU . 15.4 mt -100.68 148.11 25.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -106.08 97.84 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.835 ' HB3' HG11 ' A' ' 12' ' ' VAL . 6.8 mt -81.09 138.36 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -135.58 45.34 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' N ' ' A' ' 15' ' ' SER . 4.0 t 37.27 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.22 37.85 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.787 ' OD2' HD11 ' A' ' 47' ' ' LEU . 31.7 m-20 -122.75 140.5 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.51 112.3 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -102.0 112.03 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.9 mt-10 -66.37 78.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.3 t -37.68 113.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 36' ' ' GLY . 9.3 p -101.45 -47.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -151.72 -167.67 15.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.9 tm-20 -135.81 129.89 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.92 -72.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.6 pt-20 -143.3 164.85 29.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 120.14 3.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 94.96 -14.99 64.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.2 m95 -124.92 130.19 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 42.9 m0 -119.39 175.17 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -128.42 126.52 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -153.08 -172.31 21.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG13 ' C ' ' A' ' 49' ' ' GLY . 2.2 t -119.3 128.34 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.787 HD11 ' OD2' ' A' ' 30' ' ' ASP . 36.9 tp -102.57 109.75 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.566 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 47.91 24.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' HG13 ' A' ' 46' ' ' VAL . . . 116.89 -43.66 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.9 tptt -61.07 156.18 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -122.18 146.01 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.512 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.56 151.15 7.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.0 ptm -82.22 133.41 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.7 p90 -135.39 160.95 66.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.04 129.7 12.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -84.49 8.95 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -103.28 14.85 30.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.15 39.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.6 -172.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 106.28 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 mp0 -54.58 165.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.1 131.56 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 26.1 m -135.25 148.38 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.612 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.6 tt0 -99.99 147.18 25.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 26' ' ' LEU . 45.5 t -93.18 117.82 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . . . -89.86 -21.11 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m-85 -133.37 121.01 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 p -62.34 134.09 55.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -126.03 140.95 52.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -111.1 130.01 23.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.95 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -81.1 8.21 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -140.0 -178.18 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.04 31.74 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.83 19.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.2 mt-10 -115.74 169.26 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -104.39 148.61 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.688 ' O ' HD21 ' A' ' 47' ' ' LEU . 40.0 tt0 -102.66 99.88 9.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.751 HD11 ' HD2' ' A' ' 55' ' ' PRO . 8.1 mt -76.94 140.62 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -138.53 119.06 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.7 t -35.06 100.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 109.92 30.09 3.57 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -109.05 144.16 37.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 0.71 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 20.1 mt -117.27 112.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.5 mt -104.66 119.69 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -74.09 77.78 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLU . 24.0 t -39.38 111.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 44' ' ' GLU . 13.1 p -92.17 -44.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.09 178.01 26.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.13 102.7 10.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' A' ' 44' ' ' GLU . 7.5 m -53.5 -61.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.8 pt-20 -163.47 -173.04 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 124.88 25.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.38 -0.32 85.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.647 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 43.5 m95 -142.36 162.58 35.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.71 ' CA ' HG22 ' A' ' 38' ' ' VAL . 17.7 m0 -151.61 178.21 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.874 ' HB2' HG13 ' A' ' 38' ' ' VAL . 11.0 tt0 -132.24 129.02 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.79 -170.9 23.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.599 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.4 t -110.32 156.86 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD21 ' O ' ' A' ' 25' ' ' GLU . 60.6 tp -140.69 91.83 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 55.89 49.49 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.99 -27.92 8.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -72.24 175.84 5.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.599 ' HG1' HG22 ' A' ' 46' ' ' VAL . 18.6 m -155.19 160.73 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 160.39 -171.91 36.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.821 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 ptm -112.8 118.62 35.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CE1' HG21 ' A' ' 32' ' ' ILE . 45.2 p90 -115.01 157.31 43.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 131.14 13.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 12.4 t -87.68 15.2 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -109.97 14.49 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -143.69 36.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.53 -172.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.653 ' HE2' ' HB2' ' A' ' 13' ' ' ALA . 11.3 pttt -149.89 105.71 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.369 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 pt-20 -50.06 170.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 11' ' ' GLN . 11.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.471 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -127.2 143.77 51.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' A' ' 34' ' ' VAL . 6.0 m -149.87 145.49 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 62' ' ' LEU . 27.1 tt0 -107.83 116.96 32.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.921 ' HA ' HG22 ' A' ' 59' ' ' ILE . 70.7 t -55.48 141.23 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.719 ' HA ' HG23 ' A' ' 28' ' ' VAL . . . -119.18 -4.25 10.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.9 m-85 -152.05 119.63 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 95.7 p -61.18 127.3 30.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -116.72 123.12 46.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -90.71 123.07 66.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.98 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 0.68 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -130.2 -175.52 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.1 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.7 12.95 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 5.5 mt-10 -109.42 153.72 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -87.59 145.41 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 48.5 tt0 -99.11 98.94 9.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.7 mt -72.56 151.02 42.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 28' ' ' VAL . 5.1 mtpt -150.88 96.66 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' ' 13' ' ' ALA . 3.6 p -28.85 100.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 127.97 -3.67 6.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.438 ' OD2' HD11 ' A' ' 47' ' ' LEU . 64.3 m-20 -98.15 139.93 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.674 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -105.74 124.12 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.9 mt -107.59 118.42 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.7 mt-10 -70.19 74.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.8 t -39.56 110.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.6 m -93.89 -44.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.41 -155.87 7.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -145.08 138.82 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.6 t -89.29 -71.72 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.76 161.76 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.36 142.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . 61.75 17.26 53.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 67.8 m95 -151.91 131.69 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 46.0 m0 -124.51 175.85 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 107.993 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -126.62 123.36 37.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.53 -169.97 19.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.76 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.2 t -113.6 164.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 28.3 tp -152.39 106.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.578 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 50.91 21.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.39 -23.23 23.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' LEU . 3.8 tttp -77.71 131.55 37.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.76 ' OG1' HG22 ' A' ' 46' ' ' VAL . 3.0 m -113.22 154.12 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 168.0 -168.6 40.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.811 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -110.97 121.12 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' HB2' HD21 ' A' ' 26' ' ' LEU . 18.4 p90 -124.49 158.94 59.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.887 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.508 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.3 p -99.96 5.47 45.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -90.74 -32.85 15.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.04 25.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.921 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -140.31 -171.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 104.03 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.74 159.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 4.6 mtm180 -119.38 142.78 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.2 m -150.46 147.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.523 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.4 tt0 -99.89 148.45 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 52.5 t -90.53 119.59 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -94.54 -24.95 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 m-85 -133.11 120.35 21.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 18.2 p -62.57 141.4 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.8 t80 -134.68 120.82 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.65 126.86 58.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.06 114.15 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -74.79 0.44 15.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.66 -174.08 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -110.14 23.75 13.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.34 11.58 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.0 mt-10 -109.05 161.45 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.2 mt -94.45 147.71 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.668 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -100.53 98.5 9.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -73.58 135.65 43.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' VAL . 3.0 mtpt -138.25 117.6 12.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.5 t -35.96 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.74 -36.37 3.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.713 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.6 m-20 -53.69 141.82 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -119.41 116.89 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.433 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.0 mt -97.27 137.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -92.67 78.26 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 16.7 t -40.04 109.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 44' ' ' GLU . 19.0 m -88.51 -39.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.01 -161.67 10.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.133 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.8 tt0 -129.82 105.25 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 53' ' ' MET . 16.2 m -58.65 -58.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -166.18 -172.79 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 122.93 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.62 -4.09 81.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m95 -139.29 163.35 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.672 ' CA ' HG22 ' A' ' 38' ' ' VAL . 22.6 m0 -150.38 -176.61 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.07 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.736 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.2 tt0 -134.99 120.35 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.86 -171.18 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.08 163.39 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' OD2' ' A' ' 30' ' ' ASP . 55.8 tp -147.37 111.34 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 48.38 23.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 111.96 -33.03 5.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -66.71 171.95 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -140.37 164.63 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.505 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 154.78 174.97 25.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.803 ' HB3' HG11 ' A' ' 38' ' ' VAL . 2.1 ptp -101.55 127.0 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 32' ' ' ILE . 32.6 p90 -122.19 158.98 53.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.741 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.95 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 15.6 p -84.22 8.59 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.42 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -151.38 35.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.78 -172.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -148.88 105.16 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -49.74 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 11' ' ' GLN . 9.2 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -146.52 142.17 27.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.76 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.68 164.48 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.07 104.92 1.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -100.62 121.0 40.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.96 121.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.29 110.7 2.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 33' ' ' GLU . 1.1 mtt180 -127.71 150.89 49.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 11.3 mtt180 -125.76 144.42 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 4.0 m -148.77 145.43 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.6 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.1 tt0 -98.73 134.83 41.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 40.3 t -75.82 119.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.442 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -92.97 -19.86 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 9.3 m-85 -137.33 127.58 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.5 m -69.74 138.98 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CB ' HD12 ' A' ' 26' ' ' LEU . 37.1 t80 -133.38 125.72 29.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.75 127.45 45.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.98 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -79.76 6.48 10.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -140.23 171.01 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.85 31.38 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.9 18.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -116.87 168.74 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -102.55 151.56 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.1 tt0 -104.9 100.2 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -76.24 139.2 41.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.28 116.61 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' LYS . 97.5 t -36.44 108.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.12 -17.62 14.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.04 148.08 47.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.99 115.86 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 26' ' ' LEU . 4.6 mt -102.32 125.5 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -79.66 87.0 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.79 111.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.504 HG22 ' HA2' ' A' ' 45' ' ' GLY . 16.0 m -95.17 -34.94 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.3 -149.29 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -145.09 125.53 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 53' ' ' MET . 31.4 t -73.8 -74.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 pt-20 -146.15 176.02 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 115.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.31 -5.12 85.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 76.1 m95 -125.01 127.4 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -119.98 170.55 9.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -125.07 128.47 48.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.88 -169.42 17.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.836 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.6 t -121.42 139.49 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 25' ' ' GLU . 65.0 tp -117.53 87.39 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 63.01 48.25 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.81 -31.86 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.087 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.651 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.41 177.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.836 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.0 m -158.82 151.31 21.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 167.05 166.83 26.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.35 131.75 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -137.86 156.8 74.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.563 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 126.63 10.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 60.7 p -86.11 11.67 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.84 14.69 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -137.58 33.19 2.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -141.39 -172.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 105.07 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.89 165.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 11' ' ' GLN . 1.7 mt -142.03 120.12 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.36 148.99 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.66 -172.1 54.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 62.8 5.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.72 99.42 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -126.54 155.79 41.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -132.12 91.36 2.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -175.92 142.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.37 84.42 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.16 102.23 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.5 97.83 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -114.59 162.67 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -141.75 145.01 34.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 12.5 m -150.04 148.1 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 62' ' ' LEU . 37.5 tt0 -94.0 148.51 22.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.615 ' HA ' HG22 ' A' ' 59' ' ' ILE . 41.6 t -89.46 115.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.98 -29.0 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 4.8 m-85 -129.89 122.98 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -64.99 143.29 58.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.9 t80 -135.91 125.45 25.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -93.33 127.75 45.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -81.29 8.65 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -143.72 164.83 29.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.19 35.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.28 21.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -119.87 168.65 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.6 mt -101.13 149.44 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' O ' HD21 ' A' ' 47' ' ' LEU . 54.3 tt0 -104.32 97.65 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.9 mt -74.34 138.65 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -138.86 116.79 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.4 t -36.06 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.34 35.08 2.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.44 136.52 54.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -107.2 116.81 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 4.1 mt -104.6 112.97 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.1 mt-10 -63.92 77.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.5 t -41.08 113.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 33' ' ' GLU . 34.3 m -94.75 -43.6 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.11 -149.25 5.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.8 tm-20 -139.14 134.94 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.7 t -84.77 -63.25 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' TRP . 10.0 pt-20 -160.93 164.36 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.08 129.91 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 69.37 15.4 70.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . 69.9 m95 -149.12 128.69 13.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.9 m0 -121.85 168.43 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.22 130.69 56.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -157.31 -172.68 24.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.8 t -117.45 147.11 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 25' ' ' GLU . 67.0 tp -128.36 89.01 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 63.23 47.21 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.93 -35.96 3.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.16 174.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.838 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.9 m -154.83 159.91 40.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 165.56 -174.37 41.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.565 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.1 ptm -106.17 125.15 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -130.78 157.75 76.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 131.29 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 87.8 p -86.71 -1.17 57.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.79 22.21 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -147.16 36.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.615 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.4 pp -141.25 -173.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -145.6 105.92 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.8 mp0 -54.07 169.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.3 mt -145.88 148.83 33.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m 49.37 82.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.39 174.23 15.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 58.7 4.99 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.1 m -49.27 123.03 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 t -46.79 -58.27 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -139.9 83.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 -57.3 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.28 63.81 1.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -148.55 158.16 43.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t 65.04 112.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.84 111.43 1.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.097 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' VAL . 1.6 mpt_? -89.4 152.9 21.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 14.5 mtm180 -119.38 143.45 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 5.4 m -148.71 146.91 28.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.3 tt0 -99.92 141.17 33.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.667 ' HA ' HG22 ' A' ' 59' ' ' ILE . 45.8 t -80.95 117.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -91.6 -19.48 22.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.2 m-85 -142.22 122.82 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -63.3 144.87 56.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' CB ' HD12 ' A' ' 26' ' ' LEU . 25.3 t80 -137.62 117.94 13.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -86.03 127.58 61.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.61 4.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -79.57 5.73 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.5 -179.53 5.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.23 30.54 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.08 19.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.65 163.35 15.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 51' ' ' THR . 21.8 mt -97.01 141.91 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.778 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.1 tt0 -98.24 100.52 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 55' ' ' PRO . 35.0 mt -72.46 139.74 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.0 mtpt -141.16 116.01 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 27' ' ' LYS . 99.1 t -36.6 105.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.57 -37.5 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 47' ' ' LEU . 18.3 m-20 -52.8 147.33 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.12 119.69 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.6 mt -103.18 124.42 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.05 81.41 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ARG . 67.4 t -40.49 118.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.46 -46.07 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.21 -173.87 20.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.6 tm-20 -125.63 132.64 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.5 t -81.56 -68.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 8.1 pt-20 -150.05 170.32 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.92 111.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 99.07 -16.35 59.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 71.0 m95 -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.7 m0 -119.88 166.97 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -121.49 126.36 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.67 -165.57 13.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.846 HG22 ' OG1' ' A' ' 51' ' ' THR . 3.0 t -117.4 152.03 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 25' ' ' GLU . 31.9 tp -135.41 94.05 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.78 33.68 12.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.85 -39.17 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.8 157.63 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.846 ' OG1' HG22 ' A' ' 46' ' ' VAL . 5.9 m -132.69 143.76 49.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -175.33 -173.67 41.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.536 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.8 ptm -107.91 124.77 50.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.75 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -128.75 157.51 75.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.08 128.96 11.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 24.8 p -87.44 13.38 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -106.04 14.44 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -140.23 35.2 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -141.2 -173.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -148.98 105.45 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.02 165.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.25 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.7 mt -144.34 162.93 35.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -136.84 89.08 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.99 -167.61 15.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 84.29 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.8 m -82.31 126.92 32.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.86 83.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -158.61 105.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 151.74 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.21 88.24 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -115.71 81.92 1.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -127.4 92.84 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.18 101.63 1.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 8.5 mtt-85 -87.12 139.98 30.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -105.12 143.02 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.9 m -142.22 145.63 34.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.2 tt0 -100.58 133.02 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 59' ' ' ILE . 46.9 t -70.92 124.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -98.41 -17.17 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 8.5 m-85 -140.33 137.18 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 36.9 m -75.82 134.44 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CB ' HD12 ' A' ' 26' ' ' LEU . 22.3 t80 -131.59 116.65 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -86.38 127.47 60.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.09 4.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.06 2.3 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -139.57 173.04 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.84 30.77 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.47 15.65 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.62 162.37 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.819 HD21 ' C ' ' A' ' 51' ' ' THR . 18.0 mt -95.49 144.36 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' O ' HD21 ' A' ' 47' ' ' LEU . 33.6 tt0 -99.09 100.12 11.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD11 ' HD2' ' A' ' 55' ' ' PRO . 22.1 mt -73.3 137.15 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -141.83 115.45 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.2 t -35.24 106.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.44 -36.66 3.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' HD11 ' A' ' 47' ' ' LEU . 6.2 m-20 -53.74 147.23 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -103.08 127.42 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.5 mt-10 -81.65 89.72 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 10' ' ' CYS . 18.1 t -47.3 113.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 33' ' ' GLU . 28.8 m -95.91 -41.43 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.71 -136.09 2.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -155.3 134.68 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' MET . 19.2 t -84.76 -73.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.1 pt-20 -144.57 173.03 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.48 115.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.47 -7.07 82.01 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 72.2 m95 -124.5 130.45 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 40.8 m0 -122.35 175.37 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -128.83 130.08 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -152.55 -169.81 18.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 50' ' ' LYS . 4.5 t -119.31 135.44 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 25' ' ' GLU . 64.5 tp -113.56 85.01 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 60.79 55.36 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.42 174.86 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.819 ' C ' HD21 ' A' ' 24' ' ' LEU . 18.2 m -157.33 149.35 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.508 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.31 -169.75 42.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.598 ' HB3' HG21 ' A' ' 38' ' ' VAL . 12.2 ptm -110.72 126.3 54.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' HG21 ' A' ' 32' ' ' ILE . 39.6 p90 -131.01 156.36 80.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 133.3 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 3.5 t -89.46 13.67 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.48 16.5 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.12 32.51 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.853 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.73 -172.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -151.67 104.89 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.639 ' O ' HD23 ' A' ' 62' ' ' LEU . 9.5 pt-20 -47.53 171.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 61' ' ' GLU . 14.4 mt -142.84 92.32 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.59 136.61 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.46 170.78 12.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.49 12.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 t -164.65 136.06 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 t -127.39 119.31 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -156.76 133.63 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.042 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -46.91 129.17 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.97 -82.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -92.33 95.57 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -92.85 104.12 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.15 124.26 0.74 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -125.24 168.85 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -122.64 148.05 45.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.1 m -148.39 148.1 29.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.274 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.1 tt0 -102.18 152.37 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 59' ' ' ILE . 68.9 t -96.13 117.73 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.61 -21.3 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.3 m-85 -131.04 120.69 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 p -62.55 124.45 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 17' ' ' LEU . 27.8 t80 -112.81 142.24 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 16' ' ' TYR . 9.8 mt -114.54 127.97 26.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.01 110.48 3.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.763 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.83 -9.15 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.07 161.78 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.26 67.62 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.58 -34.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -57.64 171.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 10.9 mt -91.85 145.82 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -111.17 102.0 10.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HB3' HG11 ' A' ' 12' ' ' VAL . 8.6 mt -77.12 143.11 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -137.46 123.29 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' LYS . 72.8 t -38.12 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.87 25.4 6.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 6.4 m-20 -104.83 139.73 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.43 109.11 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 46' ' ' VAL . 3.1 mt -101.69 117.78 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.4 mt-10 -68.01 79.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG21 ' SG ' ' A' ' 10' ' ' CYS . 88.6 t -39.39 117.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 36' ' ' GLY . 8.6 p -100.69 -51.72 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.519 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -149.34 -155.97 6.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -141.57 135.07 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.4 t -81.28 -69.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.3 pt-20 -147.98 168.76 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 117.97 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 92.96 -12.6 69.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CE3' ' SD ' ' A' ' 53' ' ' MET . 76.2 m95 -124.24 124.85 43.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 41.9 m0 -115.64 167.19 11.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -120.73 131.99 54.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.05 -171.14 24.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.539 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.9 t -115.81 164.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 53.9 tp -146.96 87.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 59.07 46.32 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.35 -27.47 13.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -75.23 158.02 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 46' ' ' VAL . 19.1 m -143.81 164.4 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.36 179.74 30.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -96.3 136.28 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.47 158.95 59.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.0 131.07 13.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 80.8 p -87.11 4.59 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -101.46 21.2 14.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -143.59 34.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' VAL . 2.5 pp -141.05 -171.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -147.39 106.87 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.34 168.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt -145.82 99.36 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.03 115.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.44 170.45 26.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.21 -58.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.046 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -67.28 -58.51 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.4 164.8 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 0.725 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.43 146.39 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.96 64.09 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -39.67 118.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.53 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.05 -130.76 4.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -130.93 141.03 50.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -125.43 144.28 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' ILE . 41.1 m -143.67 151.26 39.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.97 145.22 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.603 ' HA ' HG22 ' A' ' 59' ' ' ILE . 31.5 t -81.79 119.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -96.5 -12.87 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 7.9 m-85 -146.45 125.36 12.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CB ' HD12 ' A' ' 26' ' ' LEU . 17.2 t80 -136.78 118.18 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.79 128.84 52.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.99 115.98 4.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.55 0.81 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -137.91 -179.74 5.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -103.48 25.76 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 12.5 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.3 mt-10 -112.05 162.82 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD21 ' C ' ' A' ' 51' ' ' THR . 14.1 mt -96.31 146.13 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 35.3 tt0 -99.49 101.18 12.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 26.7 mt -74.16 136.13 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -141.16 113.75 8.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' LYS . 59.3 t -35.35 106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.79 -31.28 5.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD2' HD11 ' A' ' 47' ' ' LEU . 27.3 m-20 -62.94 162.24 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' CYS . 17.9 mt -136.78 126.48 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.9 mt -101.69 115.47 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.3 mt-10 -64.03 85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ARG . 62.8 t -51.39 112.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG22 ' HA2' ' A' ' 45' ' ' GLY . 15.0 m -101.64 -35.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.22 -144.47 3.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -149.51 133.69 17.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 53' ' ' MET . 13.4 t -82.63 -73.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.4 pt-20 -143.79 171.05 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.42 111.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 97.21 -13.95 64.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 62.1 m95 -120.43 129.03 53.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 44.4 m0 -120.22 172.91 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -128.96 126.55 39.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.69 -160.31 9.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.845 HG22 ' HG1' ' A' ' 51' ' ' THR . 12.0 t -128.44 115.58 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 ' OD2' ' A' ' 30' ' ' ASP . 2.3 tp -60.51 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -142.6 61.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.2 -11.81 55.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.6 tttt -99.98 -165.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 0.722 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.845 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -165.89 147.45 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 176.01 -176.11 47.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.576 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.5 ptm -103.99 124.88 49.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 32' ' ' ILE . 22.0 p90 -130.46 155.75 80.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 124.59 8.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 83.6 p -78.95 -2.08 38.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -88.04 -5.76 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.61 31.17 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.03 -174.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -145.32 106.08 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 165.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.2 mt -141.94 170.22 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -178.71 113.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.94 160.1 33.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.98 39.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 p -175.2 128.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 p -136.95 -55.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -119.35 -57.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -91.85 165.68 13.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.86 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -89.18 142.74 27.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -119.32 79.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -99.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -133.74 159.78 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -137.76 145.77 42.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' C ' HD11 ' A' ' 62' ' ' LEU . 27.3 p -136.54 158.49 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' N ' HD11 ' A' ' 62' ' ' LEU . 1.7 tt0 -112.87 94.79 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.6 t -41.15 106.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.6 -18.35 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 8.1 m-85 -132.95 134.5 44.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 3.2 p -77.09 129.99 36.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' C ' HD23 ' A' ' 17' ' ' LEU . 63.3 t80 -124.3 143.67 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' C ' ' A' ' 16' ' ' TYR . 6.6 mt -111.65 126.67 28.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.04 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.09 -5.5 22.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -138.21 169.42 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.9 23.37 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 4.62 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.1 mt-10 -104.82 176.87 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -107.66 149.1 28.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.585 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -103.82 100.67 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.654 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.0 mt -75.01 129.02 36.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -128.51 117.69 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.8 t -34.62 112.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.32 -36.41 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.701 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -45.27 144.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.3 mt -118.31 105.26 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 54' ' ' PHE . 2.0 mt -90.05 129.02 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.47 73.42 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' GLU . 96.4 t -38.99 111.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 23.1 m -97.92 -44.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.98 -165.74 12.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -129.95 131.27 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.4 t -78.7 -66.24 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.2 pt-20 -153.62 172.85 16.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.97 115.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 89.34 -5.03 84.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 39' ' ' GLU . 75.1 m95 -127.49 128.93 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 37.7 m0 -119.39 163.96 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.04 119.69 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.89 -165.94 12.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' OG1' ' A' ' 51' ' ' THR . 4.1 t -119.17 163.91 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.701 HD11 ' OD2' ' A' ' 30' ' ' ASP . 63.9 tp -146.0 88.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 62.7 38.51 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.34 -25.87 26.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.04 153.39 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.643 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -133.36 154.6 50.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.84 165.49 21.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.67 132.21 34.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.014 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 32' ' ' ILE . 3.7 p90 -134.85 156.84 78.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 123.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 26.7 p -81.03 2.52 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.06 10.22 34.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.85 40.7 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.57 -172.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -148.45 100.21 3.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' C ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -141.54 107.74 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -108.8 124.43 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.54 160.36 3.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.51 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -124.15 124.03 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t 46.06 80.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.26 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -160.12 153.84 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.75 85.71 0.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.71 114.64 19.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -120.59 138.21 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 34' ' ' VAL . . . 92.0 124.66 3.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.473 ' HG3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -96.92 173.97 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 mtm180 -116.62 145.85 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.563 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.7 m -148.23 144.6 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.7 tt0 -102.06 136.12 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 59' ' ' ILE . 47.4 t -68.5 111.11 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.615 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -84.54 -25.31 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -141.45 121.74 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.7 p -58.42 142.56 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 31.9 t80 -135.12 120.3 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -87.03 127.15 60.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.99 111.0 3.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 11.97 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -134.49 -175.83 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 29.43 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.29 24.1 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 1.4 mm-40 -115.1 156.65 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.4 mt -91.63 147.34 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.86 97.05 7.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 55' ' ' PRO . 21.3 mt -71.46 134.25 46.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.01 113.85 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.3 t -35.16 107.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.61 -37.34 3.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 47' ' ' LEU . 38.7 m-20 -56.7 142.8 38.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -115.35 119.38 61.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -100.99 122.72 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -76.48 98.08 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 ' SG ' ' A' ' 10' ' ' CYS . 39.8 t -51.72 112.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.5 m -100.72 -42.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.18 -162.27 11.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' OE1' ' NE1' ' A' ' 43' ' ' TRP . 13.4 tt0 -133.64 130.89 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 53' ' ' MET . 17.6 t -80.16 -74.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.8 pt-20 -144.54 174.66 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.75 116.67 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.17 -5.59 84.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ3' ' SD ' ' A' ' 53' ' ' MET . 72.4 m95 -125.07 128.39 48.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -120.55 169.47 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.3 tt0 -122.47 123.99 42.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -144.67 -173.44 16.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG22 ' HG1' ' A' ' 51' ' ' THR . 4.7 t -119.11 135.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 30' ' ' ASP . 66.4 tp -112.69 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 60.75 55.68 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -32.09 4.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -69.01 175.73 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.728 ' HG1' HG22 ' A' ' 46' ' ' VAL . 24.9 m -157.1 157.19 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.42 170.42 27.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -86.13 135.61 33.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.96 155.29 70.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 131.12 13.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.4 t -89.5 12.43 16.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.39 12.2 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -138.72 34.37 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.05 -173.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -150.45 105.26 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.75 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 11' ' ' GLN . 10.0 mt -143.04 164.6 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.13 151.74 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.7 167.49 13.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 76.42 3.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -73.14 150.62 42.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -81.49 107.11 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -131.92 -56.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.01 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.76 -68.98 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.44 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.91 103.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.89 119.8 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.03 153.76 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -129.42 146.22 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.4 m -149.09 148.33 29.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 7.7 tt0 -101.28 151.72 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.779 HG23 ' OD1' ' A' ' 30' ' ' ASP . 2.6 t -95.13 129.35 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.43 -18.34 14.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.2 m-85 -137.86 118.59 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.8 p -60.86 133.08 55.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' C ' HD22 ' A' ' 17' ' ' LEU . 27.7 t80 -124.41 126.01 45.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -98.17 129.1 31.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.72 5.54 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.35 -157.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.63 20.03 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -139.29 14.01 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 16' ' ' TYR . 1.6 mt-10 -107.67 159.45 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.3 mt -92.09 147.34 23.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.35 97.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB3' HG21 ' A' ' 12' ' ' VAL . 12.9 mt -74.25 142.99 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.36 120.52 12.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.5 t -36.14 107.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.04 27.79 5.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.779 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -94.29 170.63 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -146.22 91.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.0 mt -91.41 113.87 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -66.48 84.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.567 HG21 ' SG ' ' A' ' 10' ' ' CYS . 75.6 t -44.53 112.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.3 m -97.93 -45.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.86 -142.02 3.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -150.95 137.66 18.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.0 t -83.9 -72.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 14.0 pt-20 -146.41 173.66 12.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 116.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.21 -6.87 82.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 66.5 m95 -125.21 129.99 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 40.9 m0 -120.55 166.66 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -122.43 128.47 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.8 -166.19 13.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.798 HG22 ' OG1' ' A' ' 51' ' ' THR . 6.8 t -125.61 128.62 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.672 HD13 ' OD2' ' A' ' 30' ' ' ASP . 62.4 tp -103.74 83.39 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 62.21 55.62 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.08 -32.86 4.71 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.636 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.5 tptt -64.49 179.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.798 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.4 m -160.94 151.53 18.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.54 -172.83 43.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -109.38 124.8 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' A' ' 32' ' ' ILE . 36.6 p90 -131.28 155.67 81.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.3 Cg_endo -74.97 130.04 12.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 75.5 p -84.33 8.22 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.44 17.5 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -141.37 34.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -142.35 -172.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 8.0 ptmt -146.83 105.34 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -47.06 170.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -141.84 113.18 7.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.28 93.39 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.65 161.5 12.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 86.55 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.62 79.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -58.06 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -50.6 -59.66 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m 57.02 171.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.45 -87.55 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -76.36 152.4 36.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -148.85 99.63 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.81 79.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -129.86 169.74 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HG3' ' A' ' 33' ' ' GLU . 4.7 mtm180 -144.75 147.01 32.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -137.2 162.41 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.817 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -116.35 92.06 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.4 t -38.16 115.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.895 ' HB2' ' HD2' ' A' ' 60' ' ' LYS . . . -99.47 -15.36 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.697 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -133.62 123.74 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 7.5 p -67.48 130.04 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.0 t80 -127.06 123.61 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -94.65 128.87 38.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.99 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.32 7.25 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.98 -173.14 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -112.45 28.62 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.7 19.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -113.98 164.74 13.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt -99.01 148.26 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 43.6 tt0 -101.08 98.5 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD11 ' HD2' ' A' ' 55' ' ' PRO . 12.3 mt -74.96 133.24 41.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.9 mtpt -136.0 116.21 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 27' ' ' LYS . 85.1 t -32.76 109.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.0 -27.61 8.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 47' ' ' LEU . 4.5 m-20 -56.14 135.28 53.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -108.28 97.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.4 mt -84.53 109.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.2 mt-10 -66.43 81.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.1 t -44.86 111.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 33' ' ' GLU . 26.3 m -97.41 -44.4 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.68 -147.26 4.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 2.6 tm-20 -150.64 137.88 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.6 t -83.33 -71.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.1 pt-20 -147.5 173.88 12.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.52 118.66 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.88 -3.98 86.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.429 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.6 m95 -128.03 127.54 43.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 36.1 m0 -118.53 172.31 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.2 tt0 -130.25 123.14 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -147.06 -165.43 11.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.674 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.8 t -124.3 137.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 30' ' ' ASP . 59.6 tp -114.27 87.77 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 62.28 47.48 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 -31.15 6.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.623 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.04 176.19 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.674 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -154.02 152.85 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 164.4 163.26 17.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.17 130.93 35.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 32' ' ' ILE . 39.4 p90 -133.52 156.99 79.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 131.03 13.81 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 43' ' ' TRP . 58.3 p -86.08 5.83 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -100.84 14.35 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -138.52 35.95 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -139.79 -173.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.895 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 9.6 ptmt -149.24 99.25 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -43.21 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt -144.94 93.41 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -91.52 144.2 25.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.14 157.66 7.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 80.06 2.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.66 111.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -59.72 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -139.84 -57.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.69 111.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.82 93.31 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -174.93 144.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -133.8 117.47 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -114.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -132.66 157.66 44.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -134.59 147.21 50.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.99 161.6 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.9 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.4 tt0 -117.39 96.37 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.0 t -40.12 115.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.851 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -97.15 -8.3 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -147.43 125.56 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 20.0 m -67.56 135.97 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.664 ' CB ' HD12 ' A' ' 26' ' ' LEU . 30.2 t80 -131.45 122.94 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.556 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -91.25 127.98 49.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -80.81 7.83 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -137.01 -178.57 5.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -107.06 31.51 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -150.32 21.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.5 mt-10 -116.29 159.63 21.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.89 HD21 ' C ' ' A' ' 51' ' ' THR . 36.2 mt -94.81 144.32 25.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 47' ' ' LEU . 32.7 tt0 -97.75 100.77 12.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.778 HD11 ' HD2' ' A' ' 55' ' ' PRO . 14.3 mt -74.51 136.83 42.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.08 118.33 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.8 t -34.89 111.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.98 -35.04 4.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' OD2' HD11 ' A' ' 47' ' ' LEU . 9.7 m-20 -48.18 141.0 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 mt -115.97 106.89 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.9 mt -91.63 123.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -78.24 77.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 82.8 t -37.58 115.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 44' ' ' GLU . 4.2 p -105.11 -42.79 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.02 -169.48 18.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE2' ' CD1' ' A' ' 43' ' ' TRP . 11.6 tt0 -126.86 131.93 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 53' ' ' MET . 16.5 t -79.69 -64.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 42' ' ' TRP . 10.3 pt-20 -157.68 174.55 15.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.81 114.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.59 -4.47 82.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' GLU . 72.8 m95 -128.63 129.86 46.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.0 m0 -120.56 162.6 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 35' ' ' VAL . 12.0 tt0 -118.42 120.15 36.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.13 17.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.3 t -110.92 157.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 25' ' ' GLU . 52.0 tp -141.1 91.37 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 57.52 48.84 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.81 5.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -69.97 165.4 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.89 ' C ' HD21 ' A' ' 24' ' ' LEU . 19.4 m -148.86 143.65 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.591 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -178.71 -161.62 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.0 ptm -115.51 123.05 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 p90 -126.21 156.92 71.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.03 133.67 16.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.542 1.812 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 60.5 p -86.64 8.88 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.2 m120 -100.53 9.55 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' ASN . 6.7 m-85 -135.22 39.65 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.72 -171.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -154.48 99.9 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.711 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -39.59 158.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 11' ' ' GLN . 6.6 mt -147.54 94.15 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 p -60.08 147.16 40.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.64 -179.39 2.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 145.21 31.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -82.25 84.86 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -100.51 147.04 26.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.88 143.66 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -85.43 -60.27 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.33 80.4 1.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -109.08 86.16 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 p -162.73 128.87 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.049 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 34' ' ' VAL . . . 66.28 123.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 34' ' ' VAL . 8.4 ptp180 -95.96 171.49 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 35.5 mtm180 -114.58 142.05 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.5 m -147.98 145.13 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.5 tt0 -98.6 163.16 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' HA ' HG22 ' A' ' 59' ' ' ILE . 34.7 t -102.54 115.11 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.01 -16.35 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 m-85 -141.84 122.75 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 78.5 p -64.69 138.36 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -130.62 125.79 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.86 126.8 47.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.05 114.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.65 4.92 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.94 -170.26 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 25.13 11.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.57 16.21 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 4.0 mt-10 -110.73 161.38 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 ' C ' ' A' ' 51' ' ' THR . 13.5 mt -95.43 144.5 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 33.1 tt0 -99.46 98.6 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.64 ' CD2' HD11 ' A' ' 32' ' ' ILE . 16.1 mt -74.47 138.93 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.1 mtmt -140.47 119.47 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.7 t -35.66 102.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.53 28.65 4.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' HD11 ' A' ' 47' ' ' LEU . 10.4 m-20 -111.79 143.21 43.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.8 mt -115.89 116.06 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.901 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.4 mt -99.33 104.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 1.9 mt-10 -59.13 81.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' SG ' ' A' ' 10' ' ' CYS . 22.4 t -40.09 118.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 44' ' ' GLU . 3.8 p -110.86 -38.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.64 -167.08 23.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -136.35 139.46 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.9 t -89.07 -68.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.4 pt-20 -143.4 163.71 32.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.54 123.92 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 87.83 -8.28 78.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.1 m95 -129.0 124.77 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 46.5 m0 -115.44 172.36 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 35' ' ' VAL . 1.2 tt0 -130.29 120.9 25.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.41 -166.15 12.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.926 HG22 ' OG1' ' A' ' 51' ' ' THR . 67.4 t -123.2 121.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 1.9 tp -72.36 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 16.9 p-10 -158.13 66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -19.1 56.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -91.77 -164.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.926 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.2 m -170.51 145.54 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.484 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -179.66 -171.11 42.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.83 ' HB3' HG21 ' A' ' 38' ' ' VAL . 5.9 ptm -110.13 116.57 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.901 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.6 p90 -118.91 154.95 53.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 131.89 14.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -85.1 9.69 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.59 20.61 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -148.9 33.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -139.29 -172.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -147.71 106.63 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.1 mp0 -54.98 168.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 61' ' ' GLU . 4.7 mt -146.24 155.49 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m 51.22 72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.98 157.71 20.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 76.35 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -67.66 103.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -110.77 97.79 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -134.85 92.5 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -104.64 -56.27 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.97 -86.65 0.28 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.46 159.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -116.79 115.54 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 111.01 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 2.0 mpt_? -97.5 158.12 15.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -129.16 144.7 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.5 m -150.51 149.25 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt0 -103.27 139.34 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 59' ' ' ILE . 49.9 t -76.84 111.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -83.78 -24.59 30.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.4 m-85 -141.48 120.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 14.7 p -58.82 143.48 47.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.487 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.3 t80 -134.96 111.87 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -82.17 127.45 71.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.02 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.87 -4.4 16.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -128.89 172.08 11.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.93 75.73 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.61 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.4 mt-10 -65.72 151.44 46.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.3 mt -78.8 143.0 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.36 98.53 9.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 16' ' ' TYR . 19.1 mt -72.3 135.47 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -135.11 118.16 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.4 t -36.95 108.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.19 -35.36 4.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.658 ' OD2' HD11 ' A' ' 47' ' ' LEU . 2.1 m-20 -56.0 137.58 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mt -112.61 123.8 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.9 mt -107.73 141.53 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.56 84.85 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 80.5 t -44.63 110.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.2 m -95.24 -45.28 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' GLU . . . -151.56 163.74 30.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -107.73 124.88 50.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.2 t -70.59 -69.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.6 pt-20 -147.27 167.7 23.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.96 116.88 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 -11.82 70.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.3 m95 -124.56 127.01 46.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 47.3 m0 -118.34 -177.28 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.1 tt0 -144.79 131.93 20.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.14 -167.02 16.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.0 t -111.2 163.77 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.658 HD11 ' OD2' ' A' ' 30' ' ' ASP . 37.6 tp -146.37 110.35 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 46.94 24.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.88 -36.29 4.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.24 172.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 46' ' ' VAL . 99.5 m -149.67 155.77 40.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.59 179.54 37.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.443 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 1.7 ptp -96.3 144.02 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -148.52 156.14 42.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.08 16.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 4.7 p -89.82 20.42 4.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -110.31 18.44 19.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -145.35 32.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.05 -172.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 104.89 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.07 164.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.4 mt -144.05 114.6 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.67 156.49 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.31 172.01 46.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.8 m 47.54 80.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -160.22 140.55 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.48 132.88 35.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.65 95.55 5.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -72.54 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -48.62 121.42 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -145.65 86.72 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.05 -120.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 8.6 mtt180 -108.44 162.59 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -136.17 143.84 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 30.5 p -137.65 160.49 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.699 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.8 tt0 -116.52 97.37 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.481 HG11 ' N ' ' A' ' 27' ' ' LYS . 42.1 t -38.91 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.19 -7.61 53.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -147.67 123.59 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 9.8 p -66.08 131.71 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.547 ' CB ' HD12 ' A' ' 26' ' ' LEU . 35.3 t80 -128.09 126.44 41.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -96.83 127.9 37.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.93 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 2.12 14.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -138.62 177.29 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -101.15 28.25 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.56 13.98 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -114.57 163.22 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -95.66 149.72 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' O ' HD21 ' A' ' 47' ' ' LEU . 41.7 tt0 -104.08 98.0 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 55' ' ' PRO . 13.5 mt -74.0 132.71 42.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 28' ' ' VAL . 11.8 mttt -133.19 117.43 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 27' ' ' LYS . 84.6 t -33.71 110.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.2 -34.36 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.756 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.0 m-20 -50.29 136.86 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' A' ' 9' ' ' ARG . 62.5 mt -112.09 99.07 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.2 mt -81.76 120.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 35' ' ' VAL . 5.3 mt-10 -76.53 80.97 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.536 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 73.0 t -43.08 110.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG22 ' HA2' ' A' ' 45' ' ' GLY . 9.5 m -99.35 -35.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.36 -152.46 6.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -151.83 125.9 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' ' 53' ' ' MET . 48.2 t -70.11 -76.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' OE2' ' CG ' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -148.0 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.28 119.6 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 83.72 -0.33 89.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CG ' ' OE2' ' A' ' 39' ' ' GLU . 86.2 m95 -130.77 124.64 31.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 32.0 m0 -117.85 167.6 11.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -121.84 127.25 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.721 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -156.22 -174.39 25.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.623 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.2 t -111.08 165.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.756 HD11 ' OD2' ' A' ' 30' ' ' ASP . 65.6 tp -149.32 90.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 59.5 48.7 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.91 -35.86 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' C ' ' HG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -65.42 177.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.623 ' HG1' HG22 ' A' ' 46' ' ' VAL . 27.6 m -157.06 169.05 25.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.85 -167.34 34.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.72 ' HB3' HG21 ' A' ' 38' ' ' VAL . 11.5 ptm -115.14 121.85 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 32' ' ' ILE . 24.4 p90 -123.44 157.73 60.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.664 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 137.72 22.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.9 t -86.13 -2.74 58.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.95 14.41 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.36 36.21 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.68 -172.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -151.09 98.64 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 mp0 -39.32 157.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 11' ' ' GLN . 5.1 mt -144.94 138.93 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.51 150.87 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.48 155.12 29.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.4 23.13 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -64.08 144.16 57.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -164.75 -58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -135.79 136.67 40.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.046 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.37 167.07 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.67 71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.57 78.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.71 131.97 54.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 112.99 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' VAL . 9.2 ptm180 -115.11 -173.7 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -130.78 147.96 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.64 163.92 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 108.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.822 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.0 tt0 -120.54 100.57 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.594 HG11 ' N ' ' A' ' 27' ' ' LYS . 24.2 t -41.92 116.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.08 -12.44 17.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.686 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 m-85 -140.06 123.02 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 p -66.02 130.18 42.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CB ' HD12 ' A' ' 26' ' ' LEU . 39.2 t80 -128.24 119.19 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.44 125.7 62.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -7.87 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -134.74 173.46 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -96.13 22.9 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.32 4.14 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.89 159.77 16.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 51' ' ' THR . 11.4 mt -88.94 146.04 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.702 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.3 tt0 -101.18 97.54 8.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 ' CB ' ' A' ' 16' ' ' TYR . 16.9 mt -70.54 128.7 37.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.86 114.6 16.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.1 t -34.88 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.93 -36.41 3.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.884 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.8 m-20 -50.43 137.51 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.7 mt -110.56 103.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.738 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.3 mt -84.21 115.07 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.3 mt-10 -72.27 77.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ARG . 60.3 t -38.79 112.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 33' ' ' GLU . 24.7 m -99.13 -43.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.51 -150.84 5.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -151.88 140.51 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 53' ' ' MET . 45.7 t -88.57 -72.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 42' ' ' TRP . 13.5 pt-20 -145.87 171.96 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.53 121.76 5.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.26 -5.29 84.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.0 m95 -128.27 126.77 41.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 37.4 m0 -120.32 172.43 7.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.2 tt0 -126.39 121.49 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -150.13 -175.49 22.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.709 HG22 ' OG1' ' A' ' 51' ' ' THR . 1.9 t -109.88 164.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.884 HD11 ' OD2' ' A' ' 30' ' ' ASP . 56.0 tp -147.09 113.14 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.545 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 47.13 24.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 110.99 -36.23 4.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -61.73 178.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.732 ' C ' HD21 ' A' ' 24' ' ' LEU . 21.1 m -151.54 159.44 44.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 166.21 -165.24 38.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.527 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.8 ptm -119.74 118.48 30.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 32' ' ' ILE . 26.0 p90 -119.57 158.27 49.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.95 125.11 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.51 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 94.3 p -73.3 -5.19 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -87.52 10.15 18.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.46 34.47 3.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.11 -173.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -149.36 99.03 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.0 mp0 -39.94 157.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.9 mt -145.04 117.2 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -67.52 155.91 37.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.14 161.99 31.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.91 5.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 p -125.42 157.47 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.36 110.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.32 144.05 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m 57.85 109.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.4 71.34 0.61 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p 49.22 85.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 0.729 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -114.65 98.37 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.9 93.48 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.37 151.64 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.3 143.6 51.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.2 m -149.17 148.32 29.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.1 tt0 -99.86 150.84 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 59' ' ' ILE . 25.4 t -95.12 136.0 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -107.83 -22.08 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -134.29 128.48 33.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 28' ' ' VAL . 57.9 m -63.98 130.19 43.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' C ' HD22 ' A' ' 17' ' ' LEU . 13.5 t80 -121.82 124.41 44.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -99.72 130.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.0 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.23 7.38 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.34 178.09 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -103.94 31.12 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -149.64 20.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -113.36 174.18 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -106.87 147.85 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.05 99.4 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.0 mt -74.75 145.6 42.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.4 mttt -136.1 119.92 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.65 HG23 ' OG ' ' A' ' 15' ' ' SER . 95.3 t -36.54 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.32 23.19 6.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.873 ' OD2' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.05 153.07 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.2 mt -125.82 88.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.873 HD12 ' OD2' ' A' ' 30' ' ' ASP . 1.1 mt -80.37 140.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.7 mt-10 -93.47 73.3 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLU . 98.9 t -39.74 117.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' GLU . 16.2 m -100.32 -47.62 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -146.04 -151.05 5.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.62 136.18 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.9 t -82.61 -70.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 10.4 pt-20 -148.52 172.61 14.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.46 113.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.21 -12.75 67.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 75.7 m95 -121.35 127.48 51.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.0 m0 -119.69 163.92 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 107.973 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.57 131.8 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -168.78 27.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.736 HG22 ' HG1' ' A' ' 51' ' ' THR . 38.3 t -114.95 163.88 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.52 HD13 ' OD1' ' A' ' 30' ' ' ASP . 10.2 tp -120.29 -76.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.87 44.82 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.13 -10.02 56.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.34 -158.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.736 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -171.78 149.19 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.369 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.519 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 171.84 166.06 29.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -82.86 129.07 34.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.06 156.03 80.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.48 16.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.552 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 15.3 p -88.99 5.31 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.92 9.97 40.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.03 31.45 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.608 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -141.88 -171.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -150.38 106.1 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.1 mp0 -53.08 165.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.5 mt -142.86 109.01 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.69 92.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 174.1 49.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 93.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.2 p -175.99 132.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.0 p -123.18 147.86 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 160.53 18.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -155.21 166.65 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -99.54 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.05 71.29 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 0.768 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -163.61 136.47 5.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.62 125.77 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' VAL . 80.9 mtt180 -104.33 160.4 14.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -126.26 142.73 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 m -149.91 150.98 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.274 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HB2' HD11 ' A' ' 62' ' ' LEU . 5.6 tt0 -104.27 164.19 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.835 HG11 ' HB3' ' A' ' 26' ' ' LEU . 53.4 t -100.96 133.24 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' C ' HG22 ' A' ' 28' ' ' VAL . . . -108.87 -15.71 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.7 m-85 -134.49 134.5 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.699 ' N ' HG23 ' A' ' 28' ' ' VAL . 99.9 p -69.31 142.44 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.734 ' CB ' HD12 ' A' ' 26' ' ' LEU . 27.8 t80 -142.93 129.53 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -102.92 130.04 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -75.01 116.5 4.6 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.65 4.87 14.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -142.17 176.46 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -99.89 32.2 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.48 17.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' CD ' ' HH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -116.05 171.46 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 47' ' ' LEU . 15.4 mt -100.68 148.11 25.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -106.08 97.84 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.835 ' HB3' HG11 ' A' ' 12' ' ' VAL . 6.8 mt -81.09 138.36 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -135.58 45.34 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' N ' ' A' ' 15' ' ' SER . 4.0 t 37.27 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.22 37.85 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.787 ' OD2' HD11 ' A' ' 47' ' ' LEU . 31.7 m-20 -122.75 140.5 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.51 112.3 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -102.0 112.03 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.9 mt-10 -66.37 78.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.3 t -37.68 113.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 36' ' ' GLY . 9.3 p -101.45 -47.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -151.72 -167.67 15.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.9 tm-20 -135.81 129.89 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.92 -72.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.6 pt-20 -143.3 164.85 29.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 120.14 3.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 94.96 -14.99 64.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.2 m95 -124.92 130.19 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 42.9 m0 -119.39 175.17 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -128.42 126.52 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -153.08 -172.31 21.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG13 ' C ' ' A' ' 49' ' ' GLY . 2.2 t -119.3 128.34 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.787 HD11 ' OD2' ' A' ' 30' ' ' ASP . 36.9 tp -102.57 109.75 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.566 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 47.91 24.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' HG13 ' A' ' 46' ' ' VAL . . . 116.89 -43.66 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.9 tptt -61.07 156.18 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -122.18 146.01 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.512 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.56 151.15 7.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.0 ptm -82.22 133.41 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.7 p90 -135.39 160.95 66.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.04 129.7 12.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -84.49 8.95 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -103.28 14.85 30.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.15 39.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.6 -172.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 106.28 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 mp0 -54.58 165.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.7 mt -144.33 -177.05 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -179.15 161.19 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.02 -174.29 13.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t 61.73 159.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -126.32 -58.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -139.95 151.35 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.62 78.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.87 -70.16 2.78 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -112.81 89.84 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 83.15 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -78.3 126.24 30.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.1 131.56 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 26.1 m -135.25 148.38 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.612 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.6 tt0 -99.99 147.18 25.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 26' ' ' LEU . 45.5 t -93.18 117.82 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . . . -89.86 -21.11 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m-85 -133.37 121.01 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 p -62.34 134.09 55.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -126.03 140.95 52.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -111.1 130.01 23.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.95 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -81.1 8.21 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -140.0 -178.18 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.04 31.74 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.83 19.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.2 mt-10 -115.74 169.26 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -104.39 148.61 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.688 ' O ' HD21 ' A' ' 47' ' ' LEU . 40.0 tt0 -102.66 99.88 9.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.751 HD11 ' HD2' ' A' ' 55' ' ' PRO . 8.1 mt -76.94 140.62 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -138.53 119.06 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.7 t -35.06 100.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 109.92 30.09 3.57 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -109.05 144.16 37.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 0.71 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 20.1 mt -117.27 112.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.5 mt -104.66 119.69 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -74.09 77.78 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLU . 24.0 t -39.38 111.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 44' ' ' GLU . 13.1 p -92.17 -44.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.09 178.01 26.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.13 102.7 10.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' A' ' 44' ' ' GLU . 7.5 m -53.5 -61.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.8 pt-20 -163.47 -173.04 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 124.88 25.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.38 -0.32 85.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.647 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 43.5 m95 -142.36 162.58 35.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.71 ' CA ' HG22 ' A' ' 38' ' ' VAL . 17.7 m0 -151.61 178.21 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.874 ' HB2' HG13 ' A' ' 38' ' ' VAL . 11.0 tt0 -132.24 129.02 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.79 -170.9 23.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.599 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.4 t -110.32 156.86 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD21 ' O ' ' A' ' 25' ' ' GLU . 60.6 tp -140.69 91.83 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 55.89 49.49 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.99 -27.92 8.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -72.24 175.84 5.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.599 ' HG1' HG22 ' A' ' 46' ' ' VAL . 18.6 m -155.19 160.73 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 160.39 -171.91 36.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.821 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 ptm -112.8 118.62 35.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CE1' HG21 ' A' ' 32' ' ' ILE . 45.2 p90 -115.01 157.31 43.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 131.14 13.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 12.4 t -87.68 15.2 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -109.97 14.49 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -143.69 36.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.53 -172.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.653 ' HE2' ' HB2' ' A' ' 13' ' ' ALA . 11.3 pttt -149.89 105.71 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.369 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 pt-20 -50.06 170.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 11' ' ' GLN . 11.8 mt -146.5 130.76 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.9 p -168.47 112.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 149.62 -176.76 28.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.31 3.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m 64.92 128.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 p -59.49 139.8 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 60.42 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.24 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.78 -61.31 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 100.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.02 148.44 41.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.0 120.21 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.471 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -123.19 153.13 40.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.774 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -127.2 143.77 51.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' A' ' 34' ' ' VAL . 6.0 m -149.87 145.49 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 62' ' ' LEU . 27.1 tt0 -107.83 116.96 32.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.921 ' HA ' HG22 ' A' ' 59' ' ' ILE . 70.7 t -55.48 141.23 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.719 ' HA ' HG23 ' A' ' 28' ' ' VAL . . . -119.18 -4.25 10.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.9 m-85 -152.05 119.63 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 95.7 p -61.18 127.3 30.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -116.72 123.12 46.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -90.71 123.07 66.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.98 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 0.68 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -130.2 -175.52 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.1 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.7 12.95 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 5.5 mt-10 -109.42 153.72 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -87.59 145.41 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 48.5 tt0 -99.11 98.94 9.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.7 mt -72.56 151.02 42.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 28' ' ' VAL . 5.1 mtpt -150.88 96.66 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' ' 13' ' ' ALA . 3.6 p -28.85 100.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 127.97 -3.67 6.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' OD2' HD11 ' A' ' 47' ' ' LEU . 64.3 m-20 -98.15 139.93 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.674 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -105.74 124.12 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.9 mt -107.59 118.42 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.7 mt-10 -70.19 74.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.8 t -39.56 110.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.6 m -93.89 -44.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.41 -155.87 7.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -145.08 138.82 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.6 t -89.29 -71.72 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.76 161.76 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.36 142.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . 61.75 17.26 53.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 67.8 m95 -151.91 131.69 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 46.0 m0 -124.51 175.85 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 107.993 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -126.62 123.36 37.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.53 -169.97 19.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.2 t -113.6 164.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 28.3 tp -152.39 106.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.578 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 50.91 21.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.39 -23.23 23.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' LEU . 3.8 tttp -77.71 131.55 37.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.76 ' OG1' HG22 ' A' ' 46' ' ' VAL . 3.0 m -113.22 154.12 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 168.0 -168.6 40.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.811 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -110.97 121.12 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' HB2' HD21 ' A' ' 26' ' ' LEU . 18.4 p90 -124.49 158.94 59.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.887 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.508 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.3 p -99.96 5.47 45.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -90.74 -32.85 15.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.04 25.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.921 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -140.31 -171.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 104.03 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.74 159.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -142.56 133.52 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -169.96 171.94 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.17 171.7 18.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 139.44 24.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -80.23 -58.42 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.61 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -126.14 127.36 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.049 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 157.94 44.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.09 77.25 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -108.78 132.42 54.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.27 89.33 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.59 -131.62 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.35 144.16 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 4.6 mtm180 -119.38 142.78 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.2 m -150.46 147.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.523 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.4 tt0 -99.89 148.45 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 52.5 t -90.53 119.59 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -94.54 -24.95 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 m-85 -133.11 120.35 21.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 18.2 p -62.57 141.4 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.8 t80 -134.68 120.82 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.65 126.86 58.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.06 114.15 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -74.79 0.44 15.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.66 -174.08 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -110.14 23.75 13.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.34 11.58 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.0 mt-10 -109.05 161.45 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.2 mt -94.45 147.71 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.668 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -100.53 98.5 9.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -73.58 135.65 43.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' VAL . 3.0 mtpt -138.25 117.6 12.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.5 t -35.96 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.74 -36.37 3.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.713 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.6 m-20 -53.69 141.82 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -119.41 116.89 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.0 mt -97.27 137.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -92.67 78.26 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 16.7 t -40.04 109.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 44' ' ' GLU . 19.0 m -88.51 -39.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.01 -161.67 10.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.133 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.8 tt0 -129.82 105.25 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 53' ' ' MET . 16.2 m -58.65 -58.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -166.18 -172.79 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 122.93 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.62 -4.09 81.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m95 -139.29 163.35 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.672 ' CA ' HG22 ' A' ' 38' ' ' VAL . 22.6 m0 -150.38 -176.61 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.07 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.736 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.2 tt0 -134.99 120.35 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.86 -171.18 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.08 163.39 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' OD2' ' A' ' 30' ' ' ASP . 55.8 tp -147.37 111.34 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 48.38 23.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 111.96 -33.03 5.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -66.71 171.95 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -140.37 164.63 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 154.78 174.97 25.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.803 ' HB3' HG11 ' A' ' 38' ' ' VAL . 2.1 ptp -101.55 127.0 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 32' ' ' ILE . 32.6 p90 -122.19 158.98 53.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.741 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.95 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 15.6 p -84.22 8.59 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.42 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -151.38 35.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.78 -172.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -148.88 105.16 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -49.74 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 11' ' ' GLN . 9.2 mt -143.33 140.95 30.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -114.76 107.99 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.44 -178.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.5 t -153.71 -57.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m 63.09 98.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 33' ' ' GLU . 1.1 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 11.3 mtt180 -125.76 144.42 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 4.0 m -148.77 145.43 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.6 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.1 tt0 -98.73 134.83 41.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 40.3 t -75.82 119.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.442 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -92.97 -19.86 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 9.3 m-85 -137.33 127.58 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.5 m -69.74 138.98 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CB ' HD12 ' A' ' 26' ' ' LEU . 37.1 t80 -133.38 125.72 29.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.75 127.45 45.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.98 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -79.76 6.48 10.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -140.23 171.01 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.85 31.38 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.9 18.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -116.87 168.74 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -102.55 151.56 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.1 tt0 -104.9 100.2 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -76.24 139.2 41.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.28 116.61 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' LYS . 97.5 t -36.44 108.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.12 -17.62 14.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.04 148.08 47.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.99 115.86 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 26' ' ' LEU . 4.6 mt -102.32 125.5 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -79.66 87.0 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.79 111.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.504 HG22 ' HA2' ' A' ' 45' ' ' GLY . 16.0 m -95.17 -34.94 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.3 -149.29 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -145.09 125.53 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 53' ' ' MET . 31.4 t -73.8 -74.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 pt-20 -146.15 176.02 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 115.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.31 -5.12 85.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 76.1 m95 -125.01 127.4 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -119.98 170.55 9.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -125.07 128.47 48.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.88 -169.42 17.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.836 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.6 t -121.42 139.49 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 25' ' ' GLU . 65.0 tp -117.53 87.39 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 63.01 48.25 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.81 -31.86 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.087 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.651 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.41 177.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.836 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.0 m -158.82 151.31 21.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 167.05 166.83 26.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.35 131.75 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -137.86 156.8 74.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.563 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 126.63 10.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 60.7 p -86.11 11.67 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.84 14.69 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -137.58 33.19 2.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -141.39 -172.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 105.07 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.89 165.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 11' ' ' GLN . 1.7 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -141.75 145.01 34.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 12.5 m -150.04 148.1 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 62' ' ' LEU . 37.5 tt0 -94.0 148.51 22.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.615 ' HA ' HG22 ' A' ' 59' ' ' ILE . 41.6 t -89.46 115.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.98 -29.0 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 4.8 m-85 -129.89 122.98 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -64.99 143.29 58.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.9 t80 -135.91 125.45 25.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -93.33 127.75 45.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -81.29 8.65 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -143.72 164.83 29.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.19 35.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.28 21.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -119.87 168.65 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.6 mt -101.13 149.44 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' O ' HD21 ' A' ' 47' ' ' LEU . 54.3 tt0 -104.32 97.65 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.9 mt -74.34 138.65 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -138.86 116.79 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.4 t -36.06 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.34 35.08 2.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.44 136.52 54.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -107.2 116.81 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 4.1 mt -104.6 112.97 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.1 mt-10 -63.92 77.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.5 t -41.08 113.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 33' ' ' GLU . 34.3 m -94.75 -43.6 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.11 -149.25 5.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.8 tm-20 -139.14 134.94 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.7 t -84.77 -63.25 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' TRP . 10.0 pt-20 -160.93 164.36 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.08 129.91 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 69.37 15.4 70.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . 69.9 m95 -149.12 128.69 13.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.9 m0 -121.85 168.43 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.22 130.69 56.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -157.31 -172.68 24.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.8 t -117.45 147.11 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 25' ' ' GLU . 67.0 tp -128.36 89.01 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 63.23 47.21 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.93 -35.96 3.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.16 174.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.838 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.9 m -154.83 159.91 40.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 165.56 -174.37 41.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.565 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.1 ptm -106.17 125.15 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -130.78 157.75 76.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 131.29 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 87.8 p -86.71 -1.17 57.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.79 22.21 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -147.16 36.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.615 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.4 pp -141.25 -173.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -145.6 105.92 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.8 mp0 -54.07 169.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.3 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' VAL . 1.6 mpt_? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 14.5 mtm180 -119.38 143.45 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 5.4 m -148.71 146.91 28.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.3 tt0 -99.92 141.17 33.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.667 ' HA ' HG22 ' A' ' 59' ' ' ILE . 45.8 t -80.95 117.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -91.6 -19.48 22.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.2 m-85 -142.22 122.82 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -63.3 144.87 56.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.446 ' CB ' HD12 ' A' ' 26' ' ' LEU . 25.3 t80 -137.62 117.94 13.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -86.03 127.58 61.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.61 4.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -79.57 5.73 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.5 -179.53 5.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.23 30.54 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.08 19.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.65 163.35 15.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 51' ' ' THR . 21.8 mt -97.01 141.91 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.778 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.1 tt0 -98.24 100.52 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 55' ' ' PRO . 35.0 mt -72.46 139.74 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.0 mtpt -141.16 116.01 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 27' ' ' LYS . 99.1 t -36.6 105.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.57 -37.5 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 47' ' ' LEU . 18.3 m-20 -52.8 147.33 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.12 119.69 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.6 mt -103.18 124.42 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.05 81.41 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ARG . 67.4 t -40.49 118.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.46 -46.07 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.21 -173.87 20.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.6 tm-20 -125.63 132.64 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.5 t -81.56 -68.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 8.1 pt-20 -150.05 170.32 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.92 111.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 99.07 -16.35 59.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 71.0 m95 -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.7 m0 -119.88 166.97 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -121.49 126.36 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.67 -165.57 13.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.846 HG22 ' OG1' ' A' ' 51' ' ' THR . 3.0 t -117.4 152.03 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 25' ' ' GLU . 31.9 tp -135.41 94.05 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.78 33.68 12.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.85 -39.17 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.8 157.63 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.846 ' OG1' HG22 ' A' ' 46' ' ' VAL . 5.9 m -132.69 143.76 49.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -175.33 -173.67 41.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.536 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.8 ptm -107.91 124.77 50.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.75 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -128.75 157.51 75.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.08 128.96 11.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 24.8 p -87.44 13.38 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -106.04 14.44 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -140.23 35.2 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -141.2 -173.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -148.98 105.45 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.02 165.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.25 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.7 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 8.5 mtt-85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -105.12 143.02 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.9 m -142.22 145.63 34.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.2 tt0 -100.58 133.02 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 59' ' ' ILE . 46.9 t -70.92 124.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -98.41 -17.17 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 8.5 m-85 -140.33 137.18 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 36.9 m -75.82 134.44 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CB ' HD12 ' A' ' 26' ' ' LEU . 22.3 t80 -131.59 116.65 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -86.38 127.47 60.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.09 4.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.06 2.3 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -139.57 173.04 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.84 30.77 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.47 15.65 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.62 162.37 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.819 HD21 ' C ' ' A' ' 51' ' ' THR . 18.0 mt -95.49 144.36 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' O ' HD21 ' A' ' 47' ' ' LEU . 33.6 tt0 -99.09 100.12 11.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD11 ' HD2' ' A' ' 55' ' ' PRO . 22.1 mt -73.3 137.15 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -141.83 115.45 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.2 t -35.24 106.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.44 -36.66 3.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' HD11 ' A' ' 47' ' ' LEU . 6.2 m-20 -53.74 147.23 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -103.08 127.42 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.5 mt-10 -81.65 89.72 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 10' ' ' CYS . 18.1 t -47.3 113.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 33' ' ' GLU . 28.8 m -95.91 -41.43 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.71 -136.09 2.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -155.3 134.68 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' MET . 19.2 t -84.76 -73.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.1 pt-20 -144.57 173.03 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.48 115.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.47 -7.07 82.01 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 72.2 m95 -124.5 130.45 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 40.8 m0 -122.35 175.37 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -128.83 130.08 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -152.55 -169.81 18.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 50' ' ' LYS . 4.5 t -119.31 135.44 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 25' ' ' GLU . 64.5 tp -113.56 85.01 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 60.79 55.36 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.42 174.86 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.819 ' C ' HD21 ' A' ' 24' ' ' LEU . 18.2 m -157.33 149.35 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.508 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.31 -169.75 42.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.598 ' HB3' HG21 ' A' ' 38' ' ' VAL . 12.2 ptm -110.72 126.3 54.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' HG21 ' A' ' 32' ' ' ILE . 39.6 p90 -131.01 156.36 80.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 133.3 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 3.5 t -89.46 13.67 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.48 16.5 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.12 32.51 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.853 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.73 -172.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -151.67 104.89 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.639 ' O ' HD23 ' A' ' 62' ' ' LEU . 9.5 pt-20 -47.53 171.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 61' ' ' GLU . 14.4 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -122.64 148.05 45.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.1 m -148.39 148.1 29.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.274 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.1 tt0 -102.18 152.37 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 59' ' ' ILE . 68.9 t -96.13 117.73 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.61 -21.3 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.3 m-85 -131.04 120.69 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 p -62.55 124.45 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 17' ' ' LEU . 27.8 t80 -112.81 142.24 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 16' ' ' TYR . 9.8 mt -114.54 127.97 26.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.01 110.48 3.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.763 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.83 -9.15 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.07 161.78 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.26 67.62 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.58 -34.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -57.64 171.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 10.9 mt -91.85 145.82 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -111.17 102.0 10.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HB3' HG11 ' A' ' 12' ' ' VAL . 8.6 mt -77.12 143.11 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -137.46 123.29 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' LYS . 72.8 t -38.12 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.87 25.4 6.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 6.4 m-20 -104.83 139.73 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.43 109.11 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 46' ' ' VAL . 3.1 mt -101.69 117.78 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.4 mt-10 -68.01 79.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG21 ' SG ' ' A' ' 10' ' ' CYS . 88.6 t -39.39 117.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 36' ' ' GLY . 8.6 p -100.69 -51.72 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.519 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -149.34 -155.97 6.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -141.57 135.07 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.4 t -81.28 -69.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.3 pt-20 -147.98 168.76 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 117.97 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 92.96 -12.6 69.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CE3' ' SD ' ' A' ' 53' ' ' MET . 76.2 m95 -124.24 124.85 43.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 41.9 m0 -115.64 167.19 11.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -120.73 131.99 54.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.05 -171.14 24.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.539 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.9 t -115.81 164.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 53.9 tp -146.96 87.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 59.07 46.32 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.35 -27.47 13.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -75.23 158.02 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 46' ' ' VAL . 19.1 m -143.81 164.4 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.36 179.74 30.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -96.3 136.28 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.47 158.95 59.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.0 131.07 13.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 80.8 p -87.11 4.59 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -101.46 21.2 14.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -143.59 34.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' VAL . 2.5 pp -141.05 -171.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -147.39 106.87 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.34 168.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -125.43 144.28 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' ILE . 41.1 m -143.67 151.26 39.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.97 145.22 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.603 ' HA ' HG22 ' A' ' 59' ' ' ILE . 31.5 t -81.79 119.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -96.5 -12.87 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 7.9 m-85 -146.45 125.36 12.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CB ' HD12 ' A' ' 26' ' ' LEU . 17.2 t80 -136.78 118.18 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.79 128.84 52.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.99 115.98 4.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.55 0.81 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -137.91 -179.74 5.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -103.48 25.76 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 12.5 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.3 mt-10 -112.05 162.82 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD21 ' C ' ' A' ' 51' ' ' THR . 14.1 mt -96.31 146.13 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 35.3 tt0 -99.49 101.18 12.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 26.7 mt -74.16 136.13 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -141.16 113.75 8.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' LYS . 59.3 t -35.35 106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.79 -31.28 5.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD2' HD11 ' A' ' 47' ' ' LEU . 27.3 m-20 -62.94 162.24 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' CYS . 17.9 mt -136.78 126.48 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.9 mt -101.69 115.47 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.3 mt-10 -64.03 85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ARG . 62.8 t -51.39 112.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG22 ' HA2' ' A' ' 45' ' ' GLY . 15.0 m -101.64 -35.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.22 -144.47 3.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -149.51 133.69 17.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 53' ' ' MET . 13.4 t -82.63 -73.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.4 pt-20 -143.79 171.05 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.42 111.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 97.21 -13.95 64.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 62.1 m95 -120.43 129.03 53.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 44.4 m0 -120.22 172.91 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -128.96 126.55 39.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.69 -160.31 9.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.845 HG22 ' HG1' ' A' ' 51' ' ' THR . 12.0 t -128.44 115.58 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 ' OD2' ' A' ' 30' ' ' ASP . 2.3 tp -60.51 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -142.6 61.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.2 -11.81 55.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.6 tttt -99.98 -165.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 0.722 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.845 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -165.89 147.45 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.5 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 176.01 -176.11 47.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.576 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.5 ptm -103.99 124.88 49.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 32' ' ' ILE . 22.0 p90 -130.46 155.75 80.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 124.59 8.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 83.6 p -78.95 -2.08 38.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -88.04 -5.76 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.61 31.17 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.03 -174.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -145.32 106.08 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 165.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -137.76 145.77 42.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' C ' HD11 ' A' ' 62' ' ' LEU . 27.3 p -136.54 158.49 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' N ' HD11 ' A' ' 62' ' ' LEU . 1.7 tt0 -112.87 94.79 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.6 t -41.15 106.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.6 -18.35 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 8.1 m-85 -132.95 134.5 44.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 3.2 p -77.09 129.99 36.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' C ' HD23 ' A' ' 17' ' ' LEU . 63.3 t80 -124.3 143.67 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' C ' ' A' ' 16' ' ' TYR . 6.6 mt -111.65 126.67 28.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.04 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.09 -5.5 22.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -138.21 169.42 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.9 23.37 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 4.62 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.1 mt-10 -104.82 176.87 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -107.66 149.1 28.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.585 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -103.82 100.67 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.654 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.0 mt -75.01 129.02 36.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -128.51 117.69 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.8 t -34.62 112.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.32 -36.41 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.701 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -45.27 144.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.3 mt -118.31 105.26 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 54' ' ' PHE . 2.0 mt -90.05 129.02 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.47 73.42 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' GLU . 96.4 t -38.99 111.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 23.1 m -97.92 -44.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.98 -165.74 12.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -129.95 131.27 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.4 t -78.7 -66.24 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.2 pt-20 -153.62 172.85 16.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.97 115.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 89.34 -5.03 84.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 39' ' ' GLU . 75.1 m95 -127.49 128.93 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 37.7 m0 -119.39 163.96 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.04 119.69 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.89 -165.94 12.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' OG1' ' A' ' 51' ' ' THR . 4.1 t -119.17 163.91 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.701 HD11 ' OD2' ' A' ' 30' ' ' ASP . 63.9 tp -146.0 88.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 62.7 38.51 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.34 -25.87 26.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.04 153.39 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.643 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -133.36 154.6 50.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.531 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.84 165.49 21.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.67 132.21 34.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.014 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 32' ' ' ILE . 3.7 p90 -134.85 156.84 78.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 123.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 26.7 p -81.03 2.52 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.06 10.22 34.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.85 40.7 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.57 -172.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -148.45 100.21 3.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' C ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.473 ' HG3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 mtm180 -116.62 145.85 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.563 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.7 m -148.23 144.6 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.7 tt0 -102.06 136.12 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 59' ' ' ILE . 47.4 t -68.5 111.11 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.615 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -84.54 -25.31 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -141.45 121.74 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.7 p -58.42 142.56 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 31.9 t80 -135.12 120.3 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -87.03 127.15 60.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.99 111.0 3.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 11.97 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -134.49 -175.83 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 29.43 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.29 24.1 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 1.4 mm-40 -115.1 156.65 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.4 mt -91.63 147.34 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.86 97.05 7.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 55' ' ' PRO . 21.3 mt -71.46 134.25 46.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.01 113.85 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.3 t -35.16 107.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.61 -37.34 3.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 47' ' ' LEU . 38.7 m-20 -56.7 142.8 38.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -115.35 119.38 61.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -100.99 122.72 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -76.48 98.08 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 ' SG ' ' A' ' 10' ' ' CYS . 39.8 t -51.72 112.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.5 m -100.72 -42.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.18 -162.27 11.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' OE1' ' NE1' ' A' ' 43' ' ' TRP . 13.4 tt0 -133.64 130.89 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 53' ' ' MET . 17.6 t -80.16 -74.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.8 pt-20 -144.54 174.66 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.75 116.67 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.17 -5.59 84.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ3' ' SD ' ' A' ' 53' ' ' MET . 72.4 m95 -125.07 128.39 48.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -120.55 169.47 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.3 tt0 -122.47 123.99 42.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -144.67 -173.44 16.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.728 HG22 ' HG1' ' A' ' 51' ' ' THR . 4.7 t -119.11 135.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 30' ' ' ASP . 66.4 tp -112.69 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 60.75 55.68 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -32.09 4.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -69.01 175.73 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.728 ' HG1' HG22 ' A' ' 46' ' ' VAL . 24.9 m -157.1 157.19 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.42 170.42 27.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -86.13 135.61 33.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.96 155.29 70.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 131.12 13.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.4 t -89.5 12.43 16.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.39 12.2 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -138.72 34.37 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.05 -173.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -150.45 105.26 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.75 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 11' ' ' GLN . 10.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -129.42 146.22 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.4 m -149.09 148.33 29.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 7.7 tt0 -101.28 151.72 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.779 HG23 ' OD1' ' A' ' 30' ' ' ASP . 2.6 t -95.13 129.35 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.43 -18.34 14.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.2 m-85 -137.86 118.59 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.8 p -60.86 133.08 55.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.5 ' C ' HD22 ' A' ' 17' ' ' LEU . 27.7 t80 -124.41 126.01 45.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -98.17 129.1 31.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.72 5.54 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.35 -157.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.63 20.03 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -139.29 14.01 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 16' ' ' TYR . 1.6 mt-10 -107.67 159.45 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.3 mt -92.09 147.34 23.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.35 97.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB3' HG21 ' A' ' 12' ' ' VAL . 12.9 mt -74.25 142.99 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.36 120.52 12.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.5 t -36.14 107.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.04 27.79 5.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.779 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -94.29 170.63 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -146.22 91.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.0 mt -91.41 113.87 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -66.48 84.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.567 HG21 ' SG ' ' A' ' 10' ' ' CYS . 75.6 t -44.53 112.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.3 m -97.93 -45.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.86 -142.02 3.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -150.95 137.66 18.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.0 t -83.9 -72.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 14.0 pt-20 -146.41 173.66 12.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 116.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.21 -6.87 82.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 66.5 m95 -125.21 129.99 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 40.9 m0 -120.55 166.66 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -122.43 128.47 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.8 -166.19 13.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.798 HG22 ' OG1' ' A' ' 51' ' ' THR . 6.8 t -125.61 128.62 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.672 HD13 ' OD2' ' A' ' 30' ' ' ASP . 62.4 tp -103.74 83.39 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 62.21 55.62 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.08 -32.86 4.71 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.636 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.5 tptt -64.49 179.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.798 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.4 m -160.94 151.53 18.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.54 -172.83 43.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -109.38 124.8 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' A' ' 32' ' ' ILE . 36.6 p90 -131.28 155.67 81.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.3 Cg_endo -74.97 130.04 12.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 75.5 p -84.33 8.22 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.44 17.5 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -141.37 34.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -142.35 -172.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 8.0 ptmt -146.83 105.34 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -47.06 170.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HG3' ' A' ' 33' ' ' GLU . 4.7 mtm180 -144.75 147.01 32.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -137.2 162.41 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.817 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -116.35 92.06 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.4 t -38.16 115.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.895 ' HB2' ' HD2' ' A' ' 60' ' ' LYS . . . -99.47 -15.36 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.697 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -133.62 123.74 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 7.5 p -67.48 130.04 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.0 t80 -127.06 123.61 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -94.65 128.87 38.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.99 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.32 7.25 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.98 -173.14 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -112.45 28.62 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.7 19.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -113.98 164.74 13.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt -99.01 148.26 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 43.6 tt0 -101.08 98.5 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.663 HD11 ' HD2' ' A' ' 55' ' ' PRO . 12.3 mt -74.96 133.24 41.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.9 mtpt -136.0 116.21 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 27' ' ' LYS . 85.1 t -32.76 109.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.0 -27.61 8.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 47' ' ' LEU . 4.5 m-20 -56.14 135.28 53.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -108.28 97.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.4 mt -84.53 109.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.2 mt-10 -66.43 81.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.1 t -44.86 111.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 33' ' ' GLU . 26.3 m -97.41 -44.4 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.68 -147.26 4.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 2.6 tm-20 -150.64 137.88 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.6 t -83.33 -71.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.1 pt-20 -147.5 173.88 12.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.52 118.66 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.88 -3.98 86.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.429 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.6 m95 -128.03 127.54 43.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 36.1 m0 -118.53 172.31 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.2 tt0 -130.25 123.14 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -147.06 -165.43 11.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.674 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.8 t -124.3 137.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 30' ' ' ASP . 59.6 tp -114.27 87.77 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 62.28 47.48 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 -31.15 6.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.623 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.04 176.19 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.674 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -154.02 152.85 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 164.4 163.26 17.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.17 130.93 35.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 32' ' ' ILE . 39.4 p90 -133.52 156.99 79.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 131.03 13.81 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 43' ' ' TRP . 58.3 p -86.08 5.83 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -100.84 14.35 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -138.52 35.95 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -139.79 -173.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.895 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 9.6 ptmt -149.24 99.25 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -43.21 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -134.59 147.21 50.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.99 161.6 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.9 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.4 tt0 -117.39 96.37 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.0 t -40.12 115.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.851 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -97.15 -8.3 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -147.43 125.56 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 20.0 m -67.56 135.97 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.664 ' CB ' HD12 ' A' ' 26' ' ' LEU . 30.2 t80 -131.45 122.94 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.556 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -91.25 127.98 49.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -80.81 7.83 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -137.01 -178.57 5.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -107.06 31.51 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -150.32 21.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.5 mt-10 -116.29 159.63 21.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.89 HD21 ' C ' ' A' ' 51' ' ' THR . 36.2 mt -94.81 144.32 25.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 47' ' ' LEU . 32.7 tt0 -97.75 100.77 12.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.778 HD11 ' HD2' ' A' ' 55' ' ' PRO . 14.3 mt -74.51 136.83 42.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.08 118.33 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.8 t -34.89 111.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.98 -35.04 4.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' OD2' HD11 ' A' ' 47' ' ' LEU . 9.7 m-20 -48.18 141.0 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 mt -115.97 106.89 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.9 mt -91.63 123.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -78.24 77.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 82.8 t -37.58 115.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 44' ' ' GLU . 4.2 p -105.11 -42.79 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.02 -169.48 18.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE2' ' CD1' ' A' ' 43' ' ' TRP . 11.6 tt0 -126.86 131.93 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 53' ' ' MET . 16.5 t -79.69 -64.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 42' ' ' TRP . 10.3 pt-20 -157.68 174.55 15.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.81 114.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.59 -4.47 82.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' GLU . 72.8 m95 -128.63 129.86 46.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.0 m0 -120.56 162.6 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 35' ' ' VAL . 12.0 tt0 -118.42 120.15 36.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.13 17.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.3 t -110.92 157.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 25' ' ' GLU . 52.0 tp -141.1 91.37 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 57.52 48.84 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.81 5.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -69.97 165.4 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.89 ' C ' HD21 ' A' ' 24' ' ' LEU . 19.4 m -148.86 143.65 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.591 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -178.71 -161.62 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.0 ptm -115.51 123.05 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 p90 -126.21 156.92 71.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.03 133.67 16.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.542 1.812 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 60.5 p -86.64 8.88 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.2 m120 -100.53 9.55 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' ASN . 6.7 m-85 -135.22 39.65 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.72 -171.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -154.48 99.9 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.711 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -39.59 158.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 11' ' ' GLN . 6.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 34' ' ' VAL . 8.4 ptp180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 35.5 mtm180 -114.58 142.05 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.5 m -147.98 145.13 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.5 tt0 -98.6 163.16 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' HA ' HG22 ' A' ' 59' ' ' ILE . 34.7 t -102.54 115.11 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.01 -16.35 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 m-85 -141.84 122.75 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 78.5 p -64.69 138.36 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -130.62 125.79 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.86 126.8 47.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.05 114.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.65 4.92 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.94 -170.26 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 25.13 11.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.57 16.21 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 4.0 mt-10 -110.73 161.38 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 ' C ' ' A' ' 51' ' ' THR . 13.5 mt -95.43 144.5 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 33.1 tt0 -99.46 98.6 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.64 ' CD2' HD11 ' A' ' 32' ' ' ILE . 16.1 mt -74.47 138.93 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.1 mtmt -140.47 119.47 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.7 t -35.66 102.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.53 28.65 4.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' HD11 ' A' ' 47' ' ' LEU . 10.4 m-20 -111.79 143.21 43.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.8 mt -115.89 116.06 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.901 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.4 mt -99.33 104.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 1.9 mt-10 -59.13 81.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' SG ' ' A' ' 10' ' ' CYS . 22.4 t -40.09 118.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 44' ' ' GLU . 3.8 p -110.86 -38.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.64 -167.08 23.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -136.35 139.46 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.9 t -89.07 -68.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.4 pt-20 -143.4 163.71 32.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.54 123.92 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 87.83 -8.28 78.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.1 m95 -129.0 124.77 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 46.5 m0 -115.44 172.36 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 35' ' ' VAL . 1.2 tt0 -130.29 120.9 25.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.41 -166.15 12.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.926 HG22 ' OG1' ' A' ' 51' ' ' THR . 67.4 t -123.2 121.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 1.9 tp -72.36 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.561 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -158.13 66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -19.1 56.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -91.77 -164.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.926 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.2 m -170.51 145.54 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.484 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -179.66 -171.11 42.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.83 ' HB3' HG21 ' A' ' 38' ' ' VAL . 5.9 ptm -110.13 116.57 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.901 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.6 p90 -118.91 154.95 53.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 131.89 14.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -85.1 9.69 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.59 20.61 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -148.9 33.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -139.29 -172.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -147.71 106.63 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.1 mp0 -54.98 168.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 61' ' ' GLU . 4.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 2.0 mpt_? . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -129.16 144.7 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.5 m -150.51 149.25 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt0 -103.27 139.34 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 59' ' ' ILE . 49.9 t -76.84 111.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -83.78 -24.59 30.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.4 m-85 -141.48 120.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 14.7 p -58.82 143.48 47.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.487 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.3 t80 -134.96 111.87 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -82.17 127.45 71.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.02 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -4.4 16.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -128.89 172.08 11.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.93 75.73 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.61 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.4 mt-10 -65.72 151.44 46.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.3 mt -78.8 143.0 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.36 98.53 9.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 16' ' ' TYR . 19.1 mt -72.3 135.47 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -135.11 118.16 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.4 t -36.95 108.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.19 -35.36 4.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.658 ' OD2' HD11 ' A' ' 47' ' ' LEU . 2.1 m-20 -56.0 137.58 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mt -112.61 123.8 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.9 mt -107.73 141.53 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.56 84.85 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 80.5 t -44.63 110.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.2 m -95.24 -45.28 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' GLU . . . -151.56 163.74 30.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -107.73 124.88 50.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.2 t -70.59 -69.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.6 pt-20 -147.27 167.7 23.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.96 116.88 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 -11.82 70.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.3 m95 -124.56 127.01 46.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 47.3 m0 -118.34 -177.28 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.1 tt0 -144.79 131.93 20.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.14 -167.02 16.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.0 t -111.2 163.77 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.658 HD11 ' OD2' ' A' ' 30' ' ' ASP . 37.6 tp -146.37 110.35 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 14.4 p30 46.94 24.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.88 -36.29 4.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.24 172.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 46' ' ' VAL . 99.5 m -149.67 155.77 40.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.59 179.54 37.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.443 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 1.7 ptp -96.3 144.02 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -148.52 156.14 42.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.08 16.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 4.7 p -89.82 20.42 4.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -110.31 18.44 19.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -145.35 32.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.05 -172.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 104.89 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.07 164.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.4 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.536 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 8.6 mtt180 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -136.17 143.84 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 30.5 p -137.65 160.49 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.699 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.8 tt0 -116.52 97.37 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.481 HG11 ' N ' ' A' ' 27' ' ' LYS . 42.1 t -38.91 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.19 -7.61 53.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -147.67 123.59 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 9.8 p -66.08 131.71 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.547 ' CB ' HD12 ' A' ' 26' ' ' LEU . 35.3 t80 -128.09 126.44 41.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -96.83 127.9 37.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.93 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 2.12 14.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -138.62 177.29 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -101.15 28.25 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.56 13.98 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -114.57 163.22 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -95.66 149.72 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.648 ' O ' HD21 ' A' ' 47' ' ' LEU . 41.7 tt0 -104.08 98.0 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 55' ' ' PRO . 13.5 mt -74.0 132.71 42.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 28' ' ' VAL . 11.8 mttt -133.19 117.43 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 27' ' ' LYS . 84.6 t -33.71 110.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.2 -34.36 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.756 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.0 m-20 -50.29 136.86 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' A' ' 9' ' ' ARG . 62.5 mt -112.09 99.07 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.2 mt -81.76 120.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 35' ' ' VAL . 5.3 mt-10 -76.53 80.97 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.536 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 73.0 t -43.08 110.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG22 ' HA2' ' A' ' 45' ' ' GLY . 9.5 m -99.35 -35.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.36 -152.46 6.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -151.83 125.9 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' ' 53' ' ' MET . 48.2 t -70.11 -76.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' OE2' ' CG ' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -148.0 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.28 119.6 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 83.72 -0.33 89.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CG ' ' OE2' ' A' ' 39' ' ' GLU . 86.2 m95 -130.77 124.64 31.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 32.0 m0 -117.85 167.6 11.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -121.84 127.25 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.721 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -156.22 -174.39 25.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.623 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.2 t -111.08 165.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.756 HD11 ' OD2' ' A' ' 30' ' ' ASP . 65.6 tp -149.32 90.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 59.5 48.7 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.91 -35.86 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' C ' ' HG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -65.42 177.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.623 ' HG1' HG22 ' A' ' 46' ' ' VAL . 27.6 m -157.06 169.05 25.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.85 -167.34 34.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.72 ' HB3' HG21 ' A' ' 38' ' ' VAL . 11.5 ptm -115.14 121.85 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 32' ' ' ILE . 24.4 p90 -123.44 157.73 60.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.664 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 137.72 22.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.9 t -86.13 -2.74 58.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.95 14.41 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.36 36.21 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.68 -172.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -151.09 98.64 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 mp0 -39.32 157.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 11' ' ' GLN . 5.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' VAL . 9.2 ptm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -130.78 147.96 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.64 163.92 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 108.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.822 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.0 tt0 -120.54 100.57 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.594 HG11 ' N ' ' A' ' 27' ' ' LYS . 24.2 t -41.92 116.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.08 -12.44 17.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.686 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 m-85 -140.06 123.02 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 p -66.02 130.18 42.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CB ' HD12 ' A' ' 26' ' ' LEU . 39.2 t80 -128.24 119.19 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.44 125.7 62.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -7.87 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -134.74 173.46 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -96.13 22.9 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.32 4.14 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.89 159.77 16.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 51' ' ' THR . 11.4 mt -88.94 146.04 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.702 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.3 tt0 -101.18 97.54 8.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 ' CB ' ' A' ' 16' ' ' TYR . 16.9 mt -70.54 128.7 37.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.86 114.6 16.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.1 t -34.88 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.93 -36.41 3.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.884 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.8 m-20 -50.43 137.51 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.7 mt -110.56 103.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.738 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.3 mt -84.21 115.07 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.3 mt-10 -72.27 77.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ARG . 60.3 t -38.79 112.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 33' ' ' GLU . 24.7 m -99.13 -43.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.51 -150.84 5.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -151.88 140.51 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 53' ' ' MET . 45.7 t -88.57 -72.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 42' ' ' TRP . 13.5 pt-20 -145.87 171.96 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.53 121.76 5.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.26 -5.29 84.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.0 m95 -128.27 126.77 41.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 37.4 m0 -120.32 172.43 7.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.2 tt0 -126.39 121.49 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -150.13 -175.49 22.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.709 HG22 ' OG1' ' A' ' 51' ' ' THR . 1.9 t -109.88 164.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.884 HD11 ' OD2' ' A' ' 30' ' ' ASP . 56.0 tp -147.09 113.14 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.7 p30 47.13 24.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 110.99 -36.23 4.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -61.73 178.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.732 ' C ' HD21 ' A' ' 24' ' ' LEU . 21.1 m -151.54 159.44 44.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 166.21 -165.24 38.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.527 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.8 ptm -119.74 118.48 30.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 32' ' ' ILE . 26.0 p90 -119.57 158.27 49.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.95 125.11 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.51 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 94.3 p -73.3 -5.19 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -87.52 10.15 18.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.46 34.47 3.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.11 -173.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -149.36 99.03 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.0 mp0 -39.94 157.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.9 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.3 143.6 51.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.2 m -149.17 148.32 29.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.1 tt0 -99.86 150.84 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 59' ' ' ILE . 25.4 t -95.12 136.0 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -107.83 -22.08 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -134.29 128.48 33.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 28' ' ' VAL . 57.9 m -63.98 130.19 43.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' C ' HD22 ' A' ' 17' ' ' LEU . 13.5 t80 -121.82 124.41 44.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -99.72 130.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.0 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.23 7.38 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.34 178.09 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -103.94 31.12 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -149.64 20.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -113.36 174.18 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -106.87 147.85 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.05 99.4 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.0 mt -74.75 145.6 42.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.4 mttt -136.1 119.92 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.65 HG23 ' OG ' ' A' ' 15' ' ' SER . 95.3 t -36.54 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.32 23.19 6.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.873 ' OD2' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.05 153.07 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.2 mt -125.82 88.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.873 HD12 ' OD2' ' A' ' 30' ' ' ASP . 1.1 mt -80.37 140.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.7 mt-10 -93.47 73.3 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLU . 98.9 t -39.74 117.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' GLU . 16.2 m -100.32 -47.62 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -146.04 -151.05 5.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.62 136.18 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.9 t -82.61 -70.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 10.4 pt-20 -148.52 172.61 14.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.46 113.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.21 -12.75 67.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 75.7 m95 -121.35 127.48 51.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.0 m0 -119.69 163.92 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 107.973 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.57 131.8 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -168.78 27.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.736 HG22 ' HG1' ' A' ' 51' ' ' THR . 38.3 t -114.95 163.88 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.52 HD13 ' OD1' ' A' ' 30' ' ' ASP . 10.2 tp -120.29 -76.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.87 44.82 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.13 -10.02 56.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.34 -158.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.736 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -171.78 149.19 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.369 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.519 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 171.84 166.06 29.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -82.86 129.07 34.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.06 156.03 80.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.48 16.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.552 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 15.3 p -88.99 5.31 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.92 9.97 40.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.03 31.45 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.608 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -141.88 -171.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -150.38 106.1 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.1 mp0 -53.08 165.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' VAL . 80.9 mtt180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -126.26 142.73 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 m -149.91 150.98 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.274 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HB2' HD11 ' A' ' 62' ' ' LEU . 5.6 tt0 -104.27 164.19 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.835 HG11 ' HB3' ' A' ' 26' ' ' LEU . 53.4 t -100.96 133.24 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.69 ' C ' HG22 ' A' ' 28' ' ' VAL . . . -108.87 -15.71 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.7 m-85 -134.49 134.5 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.699 ' N ' HG23 ' A' ' 28' ' ' VAL . 99.9 p -69.31 142.44 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.734 ' CB ' HD12 ' A' ' 26' ' ' LEU . 27.8 t80 -142.93 129.53 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -102.92 130.04 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -75.01 116.5 4.6 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.65 4.87 14.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -142.17 176.46 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -99.89 32.2 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.48 17.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' CD ' ' HH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -116.05 171.46 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 47' ' ' LEU . 15.4 mt -100.68 148.11 25.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -106.08 97.84 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.835 ' HB3' HG11 ' A' ' 12' ' ' VAL . 6.8 mt -81.09 138.36 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -135.58 45.34 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' N ' ' A' ' 15' ' ' SER . 4.0 t 37.27 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.22 37.85 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.787 ' OD2' HD11 ' A' ' 47' ' ' LEU . 31.7 m-20 -122.75 140.5 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.51 112.3 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -102.0 112.03 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.9 mt-10 -66.37 78.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.3 t -37.68 113.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 36' ' ' GLY . 9.3 p -101.45 -47.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -151.72 -167.67 15.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.9 tm-20 -135.81 129.89 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.92 -72.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.6 pt-20 -143.3 164.85 29.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 120.14 3.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 94.96 -14.99 64.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.2 m95 -124.92 130.19 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 42.9 m0 -119.39 175.17 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -128.42 126.52 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -153.08 -172.31 21.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG13 ' C ' ' A' ' 49' ' ' GLY . 2.2 t -119.3 128.34 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.787 HD11 ' OD2' ' A' ' 30' ' ' ASP . 36.9 tp -102.57 109.75 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.2 p30 47.91 24.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' HG13 ' A' ' 46' ' ' VAL . . . 116.89 -43.66 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.9 tptt -61.07 156.18 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -122.18 146.01 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.512 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.56 151.15 7.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.0 ptm -82.22 133.41 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.7 p90 -135.39 160.95 66.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.04 129.7 12.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -84.49 8.95 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -103.28 14.85 30.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.15 39.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.6 -172.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 106.28 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 mp0 -54.58 165.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.1 131.56 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 26.1 m -135.25 148.38 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.612 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.6 tt0 -99.99 147.18 25.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 26' ' ' LEU . 45.5 t -93.18 117.82 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . . . -89.86 -21.11 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m-85 -133.37 121.01 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 p -62.34 134.09 55.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -126.03 140.95 52.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -111.1 130.01 23.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.95 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -81.1 8.21 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -140.0 -178.18 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.04 31.74 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.83 19.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.2 mt-10 -115.74 169.26 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -104.39 148.61 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.688 ' O ' HD21 ' A' ' 47' ' ' LEU . 40.0 tt0 -102.66 99.88 9.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.751 HD11 ' HD2' ' A' ' 55' ' ' PRO . 8.1 mt -76.94 140.62 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -138.53 119.06 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.7 t -35.06 100.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 109.92 30.09 3.57 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -109.05 144.16 37.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 0.71 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 20.1 mt -117.27 112.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.5 mt -104.66 119.69 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -74.09 77.78 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLU . 24.0 t -39.38 111.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 44' ' ' GLU . 13.1 p -92.17 -44.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.09 178.01 26.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.13 102.7 10.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' A' ' 44' ' ' GLU . 7.5 m -53.5 -61.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.678 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.8 pt-20 -163.47 -173.04 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 124.88 25.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.38 -0.32 85.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.647 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 43.5 m95 -142.36 162.58 35.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.71 ' CA ' HG22 ' A' ' 38' ' ' VAL . 17.7 m0 -151.61 178.21 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.874 ' HB2' HG13 ' A' ' 38' ' ' VAL . 11.0 tt0 -132.24 129.02 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.79 -170.9 23.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.599 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.4 t -110.32 156.86 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD21 ' O ' ' A' ' 25' ' ' GLU . 60.6 tp -140.69 91.83 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 55.89 49.49 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.99 -27.92 8.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -72.24 175.84 5.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.599 ' HG1' HG22 ' A' ' 46' ' ' VAL . 18.6 m -155.19 160.73 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 160.39 -171.91 36.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.821 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 ptm -112.8 118.62 35.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CE1' HG21 ' A' ' 32' ' ' ILE . 45.2 p90 -115.01 157.31 43.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 131.14 13.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 12.4 t -87.68 15.2 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -109.97 14.49 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -143.69 36.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.53 -172.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.653 ' HE2' ' HB2' ' A' ' 13' ' ' ALA . 11.3 pttt -149.89 105.71 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.369 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 pt-20 -50.06 170.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 11' ' ' GLN . 11.8 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.471 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -127.2 143.77 51.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' A' ' 34' ' ' VAL . 6.0 m -149.87 145.49 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 62' ' ' LEU . 27.1 tt0 -107.83 116.96 32.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.921 ' HA ' HG22 ' A' ' 59' ' ' ILE . 70.7 t -55.48 141.23 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.719 ' HA ' HG23 ' A' ' 28' ' ' VAL . . . -119.18 -4.25 10.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.9 m-85 -152.05 119.63 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 95.7 p -61.18 127.3 30.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -116.72 123.12 46.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -90.71 123.07 66.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.98 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 0.68 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -130.2 -175.52 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.1 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.7 12.95 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 5.5 mt-10 -109.42 153.72 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -87.59 145.41 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 48.5 tt0 -99.11 98.94 9.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.7 mt -72.56 151.02 42.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 28' ' ' VAL . 5.1 mtpt -150.88 96.66 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' ' 13' ' ' ALA . 3.6 p -28.85 100.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 127.97 -3.67 6.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.438 ' OD2' HD11 ' A' ' 47' ' ' LEU . 64.3 m-20 -98.15 139.93 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.674 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -105.74 124.12 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.9 mt -107.59 118.42 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.7 mt-10 -70.19 74.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.8 t -39.56 110.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.6 m -93.89 -44.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.41 -155.87 7.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -145.08 138.82 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.6 t -89.29 -71.72 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.76 161.76 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.36 142.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . 61.75 17.26 53.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 67.8 m95 -151.91 131.69 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 46.0 m0 -124.51 175.85 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 107.993 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -126.62 123.36 37.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.53 -169.97 19.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.76 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.2 t -113.6 164.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 28.3 tp -152.39 106.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 10.6 p30 50.91 21.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.39 -23.23 23.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' LEU . 3.8 tttp -77.71 131.55 37.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.76 ' OG1' HG22 ' A' ' 46' ' ' VAL . 3.0 m -113.22 154.12 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 168.0 -168.6 40.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.811 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -110.97 121.12 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' HB2' HD21 ' A' ' 26' ' ' LEU . 18.4 p90 -124.49 158.94 59.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.887 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.508 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.3 p -99.96 5.47 45.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -90.74 -32.85 15.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.04 25.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.921 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -140.31 -171.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 104.03 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.74 159.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 4.6 mtm180 -119.38 142.78 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.2 m -150.46 147.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.523 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.4 tt0 -99.89 148.45 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 52.5 t -90.53 119.59 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -94.54 -24.95 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 m-85 -133.11 120.35 21.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 18.2 p -62.57 141.4 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.8 t80 -134.68 120.82 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.65 126.86 58.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.06 114.15 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -74.79 0.44 15.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.66 -174.08 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -110.14 23.75 13.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.34 11.58 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.0 mt-10 -109.05 161.45 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.2 mt -94.45 147.71 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.668 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -100.53 98.5 9.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -73.58 135.65 43.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' VAL . 3.0 mtpt -138.25 117.6 12.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.5 t -35.96 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.74 -36.37 3.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.713 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.6 m-20 -53.69 141.82 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -119.41 116.89 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.433 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.0 mt -97.27 137.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -92.67 78.26 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 16.7 t -40.04 109.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 44' ' ' GLU . 19.0 m -88.51 -39.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.01 -161.67 10.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.133 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.8 tt0 -129.82 105.25 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 53' ' ' MET . 16.2 m -58.65 -58.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -166.18 -172.79 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 122.93 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.62 -4.09 81.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m95 -139.29 163.35 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.672 ' CA ' HG22 ' A' ' 38' ' ' VAL . 22.6 m0 -150.38 -176.61 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.07 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.736 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.2 tt0 -134.99 120.35 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.86 -171.18 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.08 163.39 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' OD2' ' A' ' 30' ' ' ASP . 55.8 tp -147.37 111.34 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 12.6 p30 48.38 23.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 111.96 -33.03 5.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -66.71 171.95 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -140.37 164.63 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.505 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 154.78 174.97 25.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.803 ' HB3' HG11 ' A' ' 38' ' ' VAL . 2.1 ptp -101.55 127.0 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 32' ' ' ILE . 32.6 p90 -122.19 158.98 53.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.741 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.95 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 15.6 p -84.22 8.59 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -106.42 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -151.38 35.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.451 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.78 -172.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -148.88 105.16 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -49.74 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 11' ' ' GLN . 9.2 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -146.52 142.17 27.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.76 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.68 164.48 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.07 104.92 1.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -100.62 121.0 40.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.96 121.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.29 110.7 2.99 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 33' ' ' GLU . 1.1 mtt180 -127.71 150.89 49.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 11.3 mtt180 -125.76 144.42 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 4.0 m -148.77 145.43 27.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.6 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.1 tt0 -98.73 134.83 41.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 40.3 t -75.82 119.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.442 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -92.97 -19.86 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 9.3 m-85 -137.33 127.58 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.5 m -69.74 138.98 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CB ' HD12 ' A' ' 26' ' ' LEU . 37.1 t80 -133.38 125.72 29.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.75 127.45 45.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.98 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -79.76 6.48 10.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -140.23 171.01 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.85 31.38 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.9 18.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -116.87 168.74 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -102.55 151.56 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.1 tt0 -104.9 100.2 9.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -76.24 139.2 41.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.28 116.61 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' LYS . 97.5 t -36.44 108.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.12 -17.62 14.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.04 148.08 47.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.99 115.86 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 26' ' ' LEU . 4.6 mt -102.32 125.5 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -79.66 87.0 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.79 111.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.504 HG22 ' HA2' ' A' ' 45' ' ' GLY . 16.0 m -95.17 -34.94 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.3 -149.29 5.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -145.09 125.53 13.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 53' ' ' MET . 31.4 t -73.8 -74.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 pt-20 -146.15 176.02 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 115.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.31 -5.12 85.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 76.1 m95 -125.01 127.4 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -119.98 170.55 9.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -125.07 128.47 48.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.88 -169.42 17.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.836 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.6 t -121.42 139.49 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 25' ' ' GLU . 65.0 tp -117.53 87.39 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 63.01 48.25 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.81 -31.86 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.087 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.651 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.41 177.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.836 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.0 m -158.82 151.31 21.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 167.05 166.83 26.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.469 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.35 131.75 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -137.86 156.8 74.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.563 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 126.63 10.1 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 60.7 p -86.11 11.67 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.84 14.69 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -137.58 33.19 2.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -141.39 -172.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 105.07 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.89 165.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 11' ' ' GLN . 1.7 mt -142.03 120.12 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.36 148.99 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.66 -172.1 54.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 62.8 5.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.72 99.42 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -126.54 155.79 41.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -132.12 91.36 2.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -175.92 142.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.37 84.42 0.36 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.16 102.23 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 48.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.5 97.83 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -114.59 162.67 16.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -141.75 145.01 34.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 12.5 m -150.04 148.1 28.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.34 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 62' ' ' LEU . 37.5 tt0 -94.0 148.51 22.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.615 ' HA ' HG22 ' A' ' 59' ' ' ILE . 41.6 t -89.46 115.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.98 -29.0 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 4.8 m-85 -129.89 122.98 29.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -64.99 143.29 58.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.9 t80 -135.91 125.45 25.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -93.33 127.75 45.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.97 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -81.29 8.65 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -143.72 164.83 29.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.19 35.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.28 21.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -119.87 168.65 10.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.6 mt -101.13 149.44 23.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' O ' HD21 ' A' ' 47' ' ' LEU . 54.3 tt0 -104.32 97.65 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.9 mt -74.34 138.65 43.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -138.86 116.79 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.4 t -36.06 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.34 35.08 2.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.44 136.52 54.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -107.2 116.81 51.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 4.1 mt -104.6 112.97 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.1 mt-10 -63.92 77.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.5 t -41.08 113.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 33' ' ' GLU . 34.3 m -94.75 -43.6 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.11 -149.25 5.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.8 tm-20 -139.14 134.94 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.7 t -84.77 -63.25 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' TRP . 10.0 pt-20 -160.93 164.36 31.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.08 129.91 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 69.37 15.4 70.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . 69.9 m95 -149.12 128.69 13.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.9 m0 -121.85 168.43 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -118.22 130.69 56.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -157.31 -172.68 24.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.8 t -117.45 147.11 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 25' ' ' GLU . 67.0 tp -128.36 89.01 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 63.23 47.21 4.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.93 -35.96 3.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.16 174.74 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.774 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.838 ' OG1' HG22 ' A' ' 46' ' ' VAL . 29.9 m -154.83 159.91 40.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 165.56 -174.37 41.31 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.565 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.1 ptm -106.17 125.15 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -130.78 157.75 76.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 131.29 14.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 87.8 p -86.71 -1.17 57.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.79 22.21 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -147.16 36.92 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.615 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.4 pp -141.25 -173.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -145.6 105.92 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.8 mp0 -54.07 169.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.3 mt -145.88 148.83 33.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m 49.37 82.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.39 174.23 15.35 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 58.7 4.99 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.1 m -49.27 123.03 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.3 t -46.79 -58.27 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -139.9 83.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -99.4 -57.3 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.28 63.81 1.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -148.55 158.16 43.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t 65.04 112.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.84 111.43 1.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.454 1.097 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' VAL . 1.6 mpt_? -89.4 152.9 21.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 14.5 mtm180 -119.38 143.45 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 5.4 m -148.71 146.91 28.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.3 tt0 -99.92 141.17 33.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.667 ' HA ' HG22 ' A' ' 59' ' ' ILE . 45.8 t -80.95 117.03 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -91.6 -19.48 22.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.2 m-85 -142.22 122.82 14.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.8 p -63.3 144.87 56.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' CB ' HD12 ' A' ' 26' ' ' LEU . 25.3 t80 -137.62 117.94 13.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -86.03 127.58 61.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.61 4.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -79.57 5.73 12.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.5 -179.53 5.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -106.23 30.54 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.08 19.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.65 163.35 15.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 51' ' ' THR . 21.8 mt -97.01 141.91 29.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.778 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.1 tt0 -98.24 100.52 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 55' ' ' PRO . 35.0 mt -72.46 139.74 47.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.0 mtpt -141.16 116.01 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 27' ' ' LYS . 99.1 t -36.6 105.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.57 -37.5 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.555 1.159 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 47' ' ' LEU . 18.3 m-20 -52.8 147.33 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.12 119.69 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.6 mt -103.18 124.42 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.05 81.41 4.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ARG . 67.4 t -40.49 118.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.46 -46.07 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.21 -173.87 20.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.6 tm-20 -125.63 132.64 52.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.5 t -81.56 -68.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 8.1 pt-20 -150.05 170.32 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.92 111.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 99.07 -16.35 59.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 71.0 m95 -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.7 m0 -119.88 166.97 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -121.49 126.36 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.67 -165.57 13.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.846 HG22 ' OG1' ' A' ' 51' ' ' THR . 3.0 t -117.4 152.03 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 25' ' ' GLU . 31.9 tp -135.41 94.05 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 63.78 33.68 12.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.85 -39.17 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HG3' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.8 157.63 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.846 ' OG1' HG22 ' A' ' 46' ' ' VAL . 5.9 m -132.69 143.76 49.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -175.33 -173.67 41.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.536 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.8 ptm -107.91 124.77 50.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.75 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -128.75 157.51 75.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.08 128.96 11.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 24.8 p -87.44 13.38 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -106.04 14.44 27.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -140.23 35.2 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.667 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -141.2 -173.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -148.98 105.45 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.02 165.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.25 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.7 mt -144.34 162.93 35.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -136.84 89.08 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.99 -167.61 15.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 84.29 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.8 m -82.31 126.92 32.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.86 83.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.945 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -158.61 105.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 151.74 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.21 88.24 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -115.71 81.92 1.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -127.4 92.84 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.18 101.63 1.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' VAL . 8.5 mtt-85 -87.12 139.98 30.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -105.12 143.02 33.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.9 m -142.22 145.63 34.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.2 tt0 -100.58 133.02 45.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 59' ' ' ILE . 46.9 t -70.92 124.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -98.41 -17.17 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 8.5 m-85 -140.33 137.18 33.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 36.9 m -75.82 134.44 40.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CB ' HD12 ' A' ' 26' ' ' LEU . 22.3 t80 -131.59 116.65 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -86.38 127.47 60.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.09 4.48 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.06 2.3 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -139.57 173.04 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.84 30.77 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.47 15.65 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.62 162.37 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.819 HD21 ' C ' ' A' ' 51' ' ' THR . 18.0 mt -95.49 144.36 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' O ' HD21 ' A' ' 47' ' ' LEU . 33.6 tt0 -99.09 100.12 11.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD11 ' HD2' ' A' ' 55' ' ' PRO . 22.1 mt -73.3 137.15 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -141.83 115.45 9.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.2 t -35.24 106.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.44 -36.66 3.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' HD11 ' A' ' 47' ' ' LEU . 6.2 m-20 -53.74 147.23 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -103.08 127.42 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.5 mt-10 -81.65 89.72 6.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 10' ' ' CYS . 18.1 t -47.3 113.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 33' ' ' GLU . 28.8 m -95.91 -41.43 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.71 -136.09 2.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -155.3 134.68 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 53' ' ' MET . 19.2 t -84.76 -73.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.1 pt-20 -144.57 173.03 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.48 115.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.47 -7.07 82.01 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 72.2 m95 -124.5 130.45 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 40.8 m0 -122.35 175.37 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 107.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -128.83 130.08 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -152.55 -169.81 18.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 50' ' ' LYS . 4.5 t -119.31 135.44 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 25' ' ' GLU . 64.5 tp -113.56 85.01 2.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 60.79 55.36 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.42 174.86 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.819 ' C ' HD21 ' A' ' 24' ' ' LEU . 18.2 m -157.33 149.35 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.508 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.31 -169.75 42.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.598 ' HB3' HG21 ' A' ' 38' ' ' VAL . 12.2 ptm -110.72 126.3 54.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' HG21 ' A' ' 32' ' ' ILE . 39.6 p90 -131.01 156.36 80.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 133.3 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.503 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 3.5 t -89.46 13.67 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.48 16.5 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.12 32.51 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.853 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.73 -172.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -151.67 104.89 3.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.639 ' O ' HD23 ' A' ' 62' ' ' LEU . 9.5 pt-20 -47.53 171.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 61' ' ' GLU . 14.4 mt -142.84 92.32 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.59 136.61 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.46 170.78 12.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.49 12.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 t -164.65 136.06 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 t -127.39 119.31 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.0 p -156.76 133.63 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 110.042 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -46.91 129.17 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.97 -82.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -92.33 95.57 9.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -92.85 104.12 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.15 124.26 0.74 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -125.24 168.85 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -122.64 148.05 45.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.1 m -148.39 148.1 29.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.274 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.669 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.1 tt0 -102.18 152.37 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 59' ' ' ILE . 68.9 t -96.13 117.73 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.61 -21.3 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.3 m-85 -131.04 120.69 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 p -62.55 124.45 21.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 17' ' ' LEU . 27.8 t80 -112.81 142.24 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 16' ' ' TYR . 9.8 mt -114.54 127.97 26.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.01 110.48 3.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.763 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.83 -9.15 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -122.07 161.78 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.26 67.62 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.58 -34.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -57.64 171.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 10.9 mt -91.85 145.82 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -111.17 102.0 10.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HB3' HG11 ' A' ' 12' ' ' VAL . 8.6 mt -77.12 143.11 39.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -137.46 123.29 20.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' LYS . 72.8 t -38.12 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.87 25.4 6.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 6.4 m-20 -104.83 139.73 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.43 109.11 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 46' ' ' VAL . 3.1 mt -101.69 117.78 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.4 mt-10 -68.01 79.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG21 ' SG ' ' A' ' 10' ' ' CYS . 88.6 t -39.39 117.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 36' ' ' GLY . 8.6 p -100.69 -51.72 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.519 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -149.34 -155.97 6.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -141.57 135.07 29.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.4 t -81.28 -69.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.3 pt-20 -147.98 168.76 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 117.97 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 92.96 -12.6 69.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CE3' ' SD ' ' A' ' 53' ' ' MET . 76.2 m95 -124.24 124.85 43.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 41.9 m0 -115.64 167.19 11.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 107.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -120.73 131.99 54.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.05 -171.14 24.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.539 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.9 t -115.81 164.3 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' N ' ' CG1' ' A' ' 46' ' ' VAL . 53.9 tp -146.96 87.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 59.07 46.32 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.35 -27.47 13.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -75.23 158.02 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 46' ' ' VAL . 19.1 m -143.81 164.4 30.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 155.36 179.74 30.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -96.3 136.28 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -142.47 158.95 59.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.0 131.07 13.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 80.8 p -87.11 4.59 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -101.46 21.2 14.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -143.59 34.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' VAL . 2.5 pp -141.05 -171.93 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -147.39 106.87 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.544 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.34 168.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt -145.82 99.36 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.03 115.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.44 170.45 26.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.543 1.812 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.21 -58.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.046 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -67.28 -58.51 4.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.4 164.8 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 0.725 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.43 146.39 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.96 64.09 2.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -39.67 118.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.53 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.037 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.05 -130.76 4.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -130.93 141.03 50.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HD2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -125.43 144.28 50.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' ILE . 41.1 m -143.67 151.26 39.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.97 145.22 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.603 ' HA ' HG22 ' A' ' 59' ' ' ILE . 31.5 t -81.79 119.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -96.5 -12.87 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 7.9 m-85 -146.45 125.36 12.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -65.35 137.74 57.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CB ' HD12 ' A' ' 26' ' ' LEU . 17.2 t80 -136.78 118.18 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -87.79 128.84 52.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -74.99 115.98 4.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.55 0.81 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -137.91 -179.74 5.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -103.48 25.76 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 12.5 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.3 mt-10 -112.05 162.82 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD21 ' C ' ' A' ' 51' ' ' THR . 14.1 mt -96.31 146.13 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 35.3 tt0 -99.49 101.18 12.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 26.7 mt -74.16 136.13 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -141.16 113.75 8.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' LYS . 59.3 t -35.35 106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.79 -31.28 5.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.108 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD2' HD11 ' A' ' 47' ' ' LEU . 27.3 m-20 -62.94 162.24 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' CYS . 17.9 mt -136.78 126.48 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.9 mt -101.69 115.47 43.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.3 mt-10 -64.03 85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ARG . 62.8 t -51.39 112.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG22 ' HA2' ' A' ' 45' ' ' GLY . 15.0 m -101.64 -35.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.22 -144.47 3.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -149.51 133.69 17.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG21 ' HB3' ' A' ' 53' ' ' MET . 13.4 t -82.63 -73.54 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 6.4 pt-20 -143.79 171.05 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.42 111.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 97.21 -13.95 64.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 62.1 m95 -120.43 129.03 53.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 44.4 m0 -120.22 172.91 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.964 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' OE1' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -128.96 126.55 39.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -151.69 -160.31 9.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.845 HG22 ' HG1' ' A' ' 51' ' ' THR . 12.0 t -128.44 115.58 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD11 ' OD2' ' A' ' 30' ' ' ASP . 2.3 tp -60.51 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -142.6 61.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.2 -11.81 55.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.6 tttt -99.98 -165.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 0.722 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.845 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -165.89 147.45 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 176.01 -176.11 47.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.576 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.5 ptm -103.99 124.88 49.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 32' ' ' ILE . 22.0 p90 -130.46 155.75 80.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.547 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 124.59 8.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 83.6 p -78.95 -2.08 38.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -88.04 -5.76 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.61 31.17 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.603 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.03 -174.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -145.32 106.08 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -51.93 165.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HG ' ' C ' ' A' ' 61' ' ' GLU . 2.2 mt -141.94 170.22 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -178.71 113.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.94 160.1 33.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.98 39.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 p -175.2 128.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 p -136.95 -55.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -119.35 -57.62 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -91.85 165.68 13.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.86 -82.29 0.38 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -89.18 142.74 27.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -119.32 79.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.13 -99.33 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -133.74 159.78 39.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -137.76 145.77 42.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' C ' HD11 ' A' ' 62' ' ' LEU . 27.3 p -136.54 158.49 44.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' N ' HD11 ' A' ' 62' ' ' LEU . 1.7 tt0 -112.87 94.79 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.6 t -41.15 106.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -88.6 -18.35 28.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 8.1 m-85 -132.95 134.5 44.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 3.2 p -77.09 129.99 36.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' C ' HD23 ' A' ' 17' ' ' LEU . 63.3 t80 -124.3 143.67 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD23 ' C ' ' A' ' 16' ' ' TYR . 6.6 mt -111.65 126.67 28.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.04 114.72 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.09 -5.5 22.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -138.21 169.42 17.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.9 23.37 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 4.62 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.1 mt-10 -104.82 176.87 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -107.66 149.1 28.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.585 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -103.82 100.67 10.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.654 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.0 mt -75.01 129.02 36.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -128.51 117.69 21.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.8 t -34.62 112.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.32 -36.41 4.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.701 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -45.27 144.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.3 mt -118.31 105.26 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.674 HG21 ' CE2' ' A' ' 54' ' ' PHE . 2.0 mt -90.05 129.02 41.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.47 73.42 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' GLU . 96.4 t -38.99 111.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 23.1 m -97.92 -44.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.98 -165.74 12.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -129.95 131.27 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.4 t -78.7 -66.24 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.2 pt-20 -153.62 172.85 16.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.97 115.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 89.34 -5.03 84.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' O ' ' O ' ' A' ' 39' ' ' GLU . 75.1 m95 -127.49 128.93 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 37.7 m0 -119.39 163.96 16.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.04 119.69 34.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.89 -165.94 12.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' OG1' ' A' ' 51' ' ' THR . 4.1 t -119.17 163.91 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.701 HD11 ' OD2' ' A' ' 30' ' ' ASP . 63.9 tp -146.0 88.33 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 62.7 38.51 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.34 -25.87 26.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.04 153.39 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.643 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -133.36 154.6 50.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.84 165.49 21.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -83.67 132.21 34.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 111.014 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 32' ' ' ILE . 3.7 p90 -134.85 156.84 78.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 123.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 26.7 p -81.03 2.52 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.06 10.22 34.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.85 40.7 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.57 -172.83 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -148.45 100.21 3.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 156.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' C ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -141.54 107.74 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -108.8 124.43 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.54 160.36 3.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.51 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -124.15 124.03 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.8 t 46.06 80.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.26 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -160.12 153.84 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.75 85.71 0.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.71 114.64 19.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -120.59 138.21 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 34' ' ' VAL . . . 92.0 124.66 3.36 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.473 ' HG3' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -96.92 173.97 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 2.6 mtm180 -116.62 145.85 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.563 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.7 m -148.23 144.6 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HB2' HD11 ' A' ' 62' ' ' LEU . 10.7 tt0 -102.06 136.12 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 59' ' ' ILE . 47.4 t -68.5 111.11 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.615 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -84.54 -25.31 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -141.45 121.74 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 16.7 p -58.42 142.56 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' HB3' ' CG ' ' A' ' 26' ' ' LEU . 31.9 t80 -135.12 120.3 18.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -87.03 127.15 60.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.99 111.0 3.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -82.6 11.97 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -134.49 -175.83 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.15 29.43 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.29 24.1 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 1.4 mm-40 -115.1 156.65 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.4 mt -91.63 147.34 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.86 97.05 7.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 55' ' ' PRO . 21.3 mt -71.46 134.25 46.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.01 113.85 12.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' LYS . 92.3 t -35.16 107.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.61 -37.34 3.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 47' ' ' LEU . 38.7 m-20 -56.7 142.8 38.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -115.35 119.38 61.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -100.99 122.72 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -76.48 98.08 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 ' SG ' ' A' ' 10' ' ' CYS . 39.8 t -51.72 112.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.5 m -100.72 -42.7 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.18 -162.27 11.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' OE1' ' NE1' ' A' ' 43' ' ' TRP . 13.4 tt0 -133.64 130.89 38.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 53' ' ' MET . 17.6 t -80.16 -74.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 7.8 pt-20 -144.54 174.66 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.75 116.67 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 88.17 -5.59 84.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ3' ' SD ' ' A' ' 53' ' ' MET . 72.4 m95 -125.07 128.39 48.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 38.5 m0 -120.55 169.47 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.3 tt0 -122.47 123.99 42.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -144.67 -173.44 16.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.728 HG22 ' HG1' ' A' ' 51' ' ' THR . 4.7 t -119.11 135.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.581 0.813 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 30' ' ' ASP . 66.4 tp -112.69 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 60.75 55.68 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -32.09 4.95 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -69.01 175.73 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.728 ' HG1' HG22 ' A' ' 46' ' ' VAL . 24.9 m -157.1 157.19 34.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.42 170.42 27.19 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -86.13 135.61 33.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -139.96 155.29 70.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.03 131.12 13.89 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.4 t -89.5 12.43 16.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.39 12.2 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -138.72 34.37 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.05 -173.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -150.45 105.26 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.75 169.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 11' ' ' GLN . 10.0 mt -143.04 164.6 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.13 151.74 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.7 167.49 13.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 76.42 3.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.431 1.753 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -73.14 150.62 42.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -81.49 107.11 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -131.92 -56.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.01 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.76 -68.98 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.44 -45.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.91 103.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.89 119.8 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.03 153.76 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -129.42 146.22 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.567 ' SG ' HG21 ' A' ' 34' ' ' VAL . 8.4 m -149.09 148.33 29.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 7.7 tt0 -101.28 151.72 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.779 HG23 ' OD1' ' A' ' 30' ' ' ASP . 2.6 t -95.13 129.35 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.43 -18.34 14.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.2 m-85 -137.86 118.59 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.8 p -60.86 133.08 55.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' C ' HD22 ' A' ' 17' ' ' LEU . 27.7 t80 -124.41 126.01 45.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -98.17 129.1 31.56 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.72 5.54 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.35 -157.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.63 20.03 7.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -139.29 14.01 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 16' ' ' TYR . 1.6 mt-10 -107.67 159.45 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 24' ' ' LEU . 8.3 mt -92.09 147.34 23.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.35 97.71 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HB3' HG21 ' A' ' 12' ' ' VAL . 12.9 mt -74.25 142.99 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.36 120.52 12.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.5 t -36.14 107.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.04 27.79 5.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.779 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -94.29 170.63 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -146.22 91.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG21 ' CE1' ' A' ' 54' ' ' PHE . 4.0 mt -91.41 113.87 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -66.48 84.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.567 HG21 ' SG ' ' A' ' 10' ' ' CYS . 75.6 t -44.53 112.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 33' ' ' GLU . 31.3 m -97.93 -45.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.86 -142.02 3.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -150.95 137.66 18.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG21 ' HB3' ' A' ' 53' ' ' MET . 15.0 t -83.9 -72.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 14.0 pt-20 -146.41 173.66 12.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 116.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.21 -6.87 82.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 66.5 m95 -125.21 129.99 51.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 40.9 m0 -120.55 166.66 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -122.43 128.47 50.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.8 -166.19 13.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.798 HG22 ' OG1' ' A' ' 51' ' ' THR . 6.8 t -125.61 128.62 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.672 HD13 ' OD2' ' A' ' 30' ' ' ASP . 62.4 tp -103.74 83.39 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 62.21 55.62 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.08 -32.86 4.71 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.636 ' O ' HG13 ' A' ' 46' ' ' VAL . 1.5 tptt -64.49 179.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.798 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.4 m -160.94 151.53 18.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.54 -172.83 43.73 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -109.38 124.8 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' A' ' 32' ' ' ILE . 36.6 p90 -131.28 155.67 81.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.3 Cg_endo -74.97 130.04 12.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.521 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 75.5 p -84.33 8.22 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.44 17.5 23.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -141.37 34.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -142.35 -172.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' CG ' ' HB3' ' A' ' 11' ' ' GLN . 8.0 ptmt -146.83 105.34 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -47.06 170.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mt -141.84 113.18 7.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.28 93.39 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.65 161.5 12.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 86.55 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.779 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.62 79.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -58.06 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -50.6 -59.66 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m 57.02 171.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.046 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.45 -87.55 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -76.36 152.4 36.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -148.85 99.63 3.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.81 79.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -129.86 169.74 14.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CG ' ' HG3' ' A' ' 33' ' ' GLU . 4.7 mtm180 -144.75 147.01 32.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 p -137.2 162.41 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.817 ' HB2' HD11 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -116.35 92.06 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 49.4 t -38.16 115.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.895 ' HB2' ' HD2' ' A' ' 60' ' ' LYS . . . -99.47 -15.36 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.697 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -133.62 123.74 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 7.5 p -67.48 130.04 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.609 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.0 t80 -127.06 123.61 37.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -94.65 128.87 38.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.99 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.32 7.25 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.98 -173.14 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -112.45 28.62 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.7 19.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.8 mt-10 -113.98 164.74 13.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt -99.01 148.26 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 43.6 tt0 -101.08 98.5 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD11 ' HD2' ' A' ' 55' ' ' PRO . 12.3 mt -74.96 133.24 41.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.9 mtpt -136.0 116.21 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 27' ' ' LYS . 85.1 t -32.76 109.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.0 -27.61 8.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.617 ' OD2' HD11 ' A' ' 47' ' ' LEU . 4.5 m-20 -56.14 135.28 53.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -108.28 97.52 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 26' ' ' LEU . 1.4 mt -84.53 109.27 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.2 mt-10 -66.43 81.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.1 t -44.86 111.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 33' ' ' GLU . 26.3 m -97.41 -44.4 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.68 -147.26 4.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 2.6 tm-20 -150.64 137.88 19.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.6 t -83.33 -71.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.1 pt-20 -147.5 173.88 12.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.52 118.66 3.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.88 -3.98 86.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.429 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.6 m95 -128.03 127.54 43.35 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 36.1 m0 -118.53 172.31 7.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 108.026 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.2 tt0 -130.25 123.14 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -147.06 -165.43 11.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.674 HG22 ' OG1' ' A' ' 51' ' ' THR . 5.8 t -124.3 137.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' OD2' ' A' ' 30' ' ' ASP . 59.6 tp -114.27 87.77 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 62.28 47.48 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.0 -31.15 6.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.623 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -66.04 176.19 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.674 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -154.02 152.85 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 164.4 163.26 17.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.17 130.93 35.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 111.01 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 32' ' ' ILE . 39.4 p90 -133.52 156.99 79.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 131.03 13.81 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 43' ' ' TRP . 58.3 p -86.08 5.83 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -100.84 14.35 32.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -138.52 35.95 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -139.79 -173.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.895 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 9.6 ptmt -149.24 99.25 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -43.21 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.6 mt -144.94 93.41 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -91.52 144.2 25.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.14 157.66 7.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 80.06 2.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.66 111.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -59.72 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -139.84 -57.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.69 111.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.82 93.31 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -174.93 144.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -133.8 117.47 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.17 -114.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -132.66 157.66 44.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -134.59 147.21 50.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p -137.99 161.6 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.9 ' HB2' HD11 ' A' ' 62' ' ' LEU . 2.4 tt0 -117.39 96.37 5.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 54.0 t -40.12 115.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.851 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -97.15 -8.3 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -147.43 125.56 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 20.0 m -67.56 135.97 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.664 ' CB ' HD12 ' A' ' 26' ' ' LEU . 30.2 t80 -131.45 122.94 27.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.556 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -91.25 127.98 49.04 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -80.81 7.83 9.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -137.01 -178.57 5.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -107.06 31.51 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -150.32 21.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 3.5 mt-10 -116.29 159.63 21.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.89 HD21 ' C ' ' A' ' 51' ' ' THR . 36.2 mt -94.81 144.32 25.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 47' ' ' LEU . 32.7 tt0 -97.75 100.77 12.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.778 HD11 ' HD2' ' A' ' 55' ' ' PRO . 14.3 mt -74.51 136.83 42.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.08 118.33 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 95.8 t -34.89 111.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.98 -35.04 4.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' OD2' HD11 ' A' ' 47' ' ' LEU . 9.7 m-20 -48.18 141.0 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 mt -115.97 106.89 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.637 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.9 mt -91.63 123.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -78.24 77.05 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 82.8 t -37.58 115.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 44' ' ' GLU . 4.2 p -105.11 -42.79 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.02 -169.48 18.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' OE2' ' CD1' ' A' ' 43' ' ' TRP . 11.6 tt0 -126.86 131.93 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 53' ' ' MET . 16.5 t -79.69 -64.32 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 42' ' ' TRP . 10.3 pt-20 -157.68 174.55 15.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.81 114.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.59 -4.47 82.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.442 ' O ' ' O ' ' A' ' 39' ' ' GLU . 72.8 m95 -128.63 129.86 46.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 36.0 m0 -120.56 162.6 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 35' ' ' VAL . 12.0 tt0 -118.42 120.15 36.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.88 -171.13 17.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.3 t -110.92 157.95 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD21 ' O ' ' A' ' 25' ' ' GLU . 52.0 tp -141.1 91.37 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 57.52 48.84 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.86 -30.81 5.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -69.97 165.4 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.89 ' C ' HD21 ' A' ' 24' ' ' LEU . 19.4 m -148.86 143.65 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.591 ' N ' HD21 ' A' ' 24' ' ' LEU . . . -178.71 -161.62 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.0 ptm -115.51 123.05 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 32' ' ' ILE . 40.1 p90 -126.21 156.92 71.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.03 133.67 16.82 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.542 1.812 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 60.5 p -86.64 8.88 20.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.2 m120 -100.53 9.55 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 57' ' ' ASN . 6.7 m-85 -135.22 39.65 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.72 -171.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -154.48 99.9 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.711 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -39.59 158.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 11' ' ' GLN . 6.6 mt -147.54 94.15 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 p -60.08 147.16 40.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.64 -179.39 2.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 145.21 31.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -82.25 84.86 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -100.51 147.04 26.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.88 143.66 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -85.43 -60.27 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.33 80.4 1.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -109.08 86.16 2.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 p -162.73 128.87 3.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.049 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 34' ' ' VAL . . . 66.28 123.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 34' ' ' VAL . 8.4 ptp180 -95.96 171.49 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 35.5 mtm180 -114.58 142.05 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.55 ' SG ' HG21 ' A' ' 34' ' ' VAL . 3.5 m -147.98 145.13 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.5 tt0 -98.6 163.16 12.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' HA ' HG22 ' A' ' 59' ' ' ILE . 34.7 t -102.54 115.11 43.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.01 -16.35 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.1 m-85 -141.84 122.75 14.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 78.5 p -64.69 138.36 58.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -130.62 125.79 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -93.86 126.8 47.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.05 114.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.65 4.92 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -132.94 -170.26 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 25.13 11.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.57 16.21 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 4.0 mt-10 -110.73 161.38 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD21 ' C ' ' A' ' 51' ' ' THR . 13.5 mt -95.43 144.5 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 33.1 tt0 -99.46 98.6 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.64 ' CD2' HD11 ' A' ' 32' ' ' ILE . 16.1 mt -74.47 138.93 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' VAL . 1.1 mtmt -140.47 119.47 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.7 t -35.66 102.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.53 28.65 4.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' HD11 ' A' ' 47' ' ' LEU . 10.4 m-20 -111.79 143.21 43.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.8 mt -115.89 116.06 51.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.901 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.4 mt -99.33 104.72 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' VAL . 1.9 mt-10 -59.13 81.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' SG ' ' A' ' 10' ' ' CYS . 22.4 t -40.09 118.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 44' ' ' GLU . 3.8 p -110.86 -38.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.64 -167.08 23.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -136.35 139.46 42.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' MET . 14.9 t -89.07 -68.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' TRP . 14.4 pt-20 -143.4 163.71 32.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.54 123.92 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 87.83 -8.28 78.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.059 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.1 m95 -129.0 124.77 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 46.5 m0 -115.44 172.36 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.515 ' O ' HG12 ' A' ' 35' ' ' VAL . 1.2 tt0 -130.29 120.9 25.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.41 -166.15 12.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.926 HG22 ' OG1' ' A' ' 51' ' ' THR . 67.4 t -123.2 121.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 25' ' ' GLU . 1.9 tp -72.36 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.561 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -158.13 66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.28 -19.1 56.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.715 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -91.77 -164.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.926 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.2 m -170.51 145.54 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.484 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -179.66 -171.11 42.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.83 ' HB3' HG21 ' A' ' 38' ' ' VAL . 5.9 ptm -110.13 116.57 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.999 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.901 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.6 p90 -118.91 154.95 53.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.05 131.89 14.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -85.1 9.69 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -104.59 20.61 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -148.9 33.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -139.29 -172.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -147.71 106.63 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.1 mp0 -54.98 168.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 61' ' ' GLU . 4.7 mt -146.24 155.49 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m 51.22 72.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.98 157.71 20.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 76.35 3.43 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -67.66 103.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 m -110.77 97.79 7.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -134.85 92.5 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -104.64 -56.27 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.97 -86.65 0.28 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.46 159.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -116.79 115.54 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 111.01 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 2.0 mpt_? -97.5 158.12 15.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -129.16 144.7 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.5 m -150.51 149.25 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.589 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt0 -103.27 139.34 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 59' ' ' ILE . 49.9 t -76.84 111.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -83.78 -24.59 30.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.4 m-85 -141.48 120.75 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 14.7 p -58.82 143.48 47.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.487 ' CB ' HD12 ' A' ' 26' ' ' LEU . 24.3 t80 -134.96 111.87 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -82.17 127.45 71.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -75.02 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -4.4 16.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -128.89 172.08 11.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.93 75.73 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.61 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.4 mt-10 -65.72 151.44 46.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.3 mt -78.8 143.0 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -100.36 98.53 9.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 16' ' ' TYR . 19.1 mt -72.3 135.47 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -135.11 118.16 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.4 t -36.95 108.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.19 -35.36 4.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.658 ' OD2' HD11 ' A' ' 47' ' ' LEU . 2.1 m-20 -56.0 137.58 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mt -112.61 123.8 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' VAL . 2.9 mt -107.73 141.53 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -96.56 84.85 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 8' ' ' ARG . 80.5 t -44.63 110.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.2 m -95.24 -45.28 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' GLU . . . -151.56 163.74 30.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -107.73 124.88 50.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' A' ' 53' ' ' MET . 18.2 t -70.59 -69.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.6 pt-20 -147.27 167.7 23.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.96 116.88 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 -11.82 70.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLU . 47.3 m95 -124.56 127.01 46.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 47.3 m0 -118.34 -177.28 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.1 tt0 -144.79 131.93 20.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.14 -167.02 16.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.0 t -111.2 163.77 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.658 HD11 ' OD2' ' A' ' 30' ' ' ASP . 37.6 tp -146.37 110.35 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 14.4 p30 46.94 24.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.88 -36.29 4.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.24 172.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 46' ' ' VAL . 99.5 m -149.67 155.77 40.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.514 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 162.59 179.54 37.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.443 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 1.7 ptp -96.3 144.02 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -148.52 156.14 42.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.08 16.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 4.7 p -89.82 20.42 4.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -110.31 18.44 19.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -145.35 32.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.05 -172.63 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 104.89 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -49.07 164.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.4 mt -144.05 114.6 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.67 156.49 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.31 172.01 46.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.8 m 47.54 80.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -160.22 140.55 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.48 132.88 35.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.65 95.55 5.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -72.54 2.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -48.62 121.42 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -145.65 86.72 1.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.05 -120.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 8.6 mtt180 -108.44 162.59 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -136.17 143.84 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 30.5 p -137.65 160.49 39.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.699 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.8 tt0 -116.52 97.37 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.481 HG11 ' N ' ' A' ' 27' ' ' LYS . 42.1 t -38.91 106.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -90.19 -7.61 53.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -147.67 123.59 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 9.8 p -66.08 131.71 46.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.547 ' CB ' HD12 ' A' ' 26' ' ' LEU . 35.3 t80 -128.09 126.44 41.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -96.83 127.9 37.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.93 115.07 4.18 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.52 2.12 14.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -138.62 177.29 8.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -101.15 28.25 5.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -139.56 13.98 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 2.6 mt-10 -114.57 163.22 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -95.66 149.72 21.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' O ' HD21 ' A' ' 47' ' ' LEU . 41.7 tt0 -104.08 98.0 7.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 55' ' ' PRO . 13.5 mt -74.0 132.71 42.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 28' ' ' VAL . 11.8 mttt -133.19 117.43 17.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 27' ' ' LYS . 84.6 t -33.71 110.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.2 -34.36 4.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.756 ' OD2' HD11 ' A' ' 47' ' ' LEU . 5.0 m-20 -50.29 136.86 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' A' ' 9' ' ' ARG . 62.5 mt -112.09 99.07 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.2 mt -81.76 120.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 35' ' ' VAL . 5.3 mt-10 -76.53 80.97 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.536 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 73.0 t -43.08 110.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG22 ' HA2' ' A' ' 45' ' ' GLY . 9.5 m -99.35 -35.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.36 -152.46 6.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -151.83 125.9 9.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' ' 53' ' ' MET . 48.2 t -70.11 -76.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' OE2' ' CG ' ' A' ' 42' ' ' TRP . 0.4 OUTLIER -148.0 178.54 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.28 119.6 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 83.72 -0.33 89.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CG ' ' OE2' ' A' ' 39' ' ' GLU . 86.2 m95 -130.77 124.64 31.85 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 32.0 m0 -117.85 167.6 11.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -121.84 127.25 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.721 ' HA2' HG22 ' A' ' 35' ' ' VAL . . . -156.22 -174.39 25.95 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.623 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.2 t -111.08 165.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.756 HD11 ' OD2' ' A' ' 30' ' ' ASP . 65.6 tp -149.32 90.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 59.5 48.7 9.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.91 -35.86 3.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' C ' ' HG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -65.42 177.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.623 ' HG1' HG22 ' A' ' 46' ' ' VAL . 27.6 m -157.06 169.05 25.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.85 -167.34 34.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.72 ' HB3' HG21 ' A' ' 38' ' ' VAL . 11.5 ptm -115.14 121.85 44.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 32' ' ' ILE . 24.4 p90 -123.44 157.73 60.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.664 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 137.72 22.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 2.9 t -86.13 -2.74 58.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.95 14.41 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.36 36.21 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.68 -172.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -151.09 98.64 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 mp0 -39.32 157.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' A' ' 11' ' ' GLN . 5.1 mt -144.94 138.93 27.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.51 150.87 21.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.48 155.12 29.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.4 23.13 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -64.08 144.16 57.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -164.75 -58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -135.79 136.67 40.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.046 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.37 167.07 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.67 71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.57 78.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.71 131.97 54.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.43 112.99 0.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' VAL . 9.2 ptm180 -115.11 -173.7 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -130.78 147.96 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.64 163.92 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 108.276 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.822 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.0 tt0 -120.54 100.57 7.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.594 HG11 ' N ' ' A' ' 27' ' ' LYS . 24.2 t -41.92 116.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -103.08 -12.44 17.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.686 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.8 m-85 -140.06 123.02 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 11.2 p -66.02 130.18 42.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CB ' HD12 ' A' ' 26' ' ' LEU . 39.2 t80 -128.24 119.19 24.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -88.44 125.7 62.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -7.87 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -134.74 173.46 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -96.13 22.9 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.32 4.14 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.89 159.77 16.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD21 ' C ' ' A' ' 51' ' ' THR . 11.4 mt -88.94 146.04 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.702 ' O ' HD21 ' A' ' 47' ' ' LEU . 31.3 tt0 -101.18 97.54 8.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 ' CB ' ' A' ' 16' ' ' TYR . 16.9 mt -70.54 128.7 37.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.86 114.6 16.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' LYS . 87.1 t -34.88 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.93 -36.41 3.67 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.884 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.8 m-20 -50.43 137.51 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.7 mt -110.56 103.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.738 HG21 ' CE1' ' A' ' 54' ' ' PHE . 1.3 mt -84.21 115.07 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' HG13 ' A' ' 35' ' ' VAL . 3.3 mt-10 -72.27 77.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ARG . 60.3 t -38.79 112.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 33' ' ' GLU . 24.7 m -99.13 -43.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.51 -150.84 5.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -151.88 140.51 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 53' ' ' MET . 45.7 t -88.57 -72.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 42' ' ' TRP . 13.5 pt-20 -145.87 171.96 14.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.53 121.76 5.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 86.26 -5.29 84.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLU . 83.0 m95 -128.27 126.77 41.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 37.4 m0 -120.32 172.43 7.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.2 tt0 -126.39 121.49 32.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' HA3' HG23 ' A' ' 32' ' ' ILE . . . -150.13 -175.49 22.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.709 HG22 ' OG1' ' A' ' 51' ' ' THR . 1.9 t -109.88 164.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.884 HD11 ' OD2' ' A' ' 30' ' ' ASP . 56.0 tp -147.09 113.14 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.7 p30 47.13 24.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 110.99 -36.23 4.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -61.73 178.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.732 ' C ' HD21 ' A' ' 24' ' ' LEU . 21.1 m -151.54 159.44 44.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 166.21 -165.24 38.08 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.527 ' HB3' HG21 ' A' ' 38' ' ' VAL . 10.8 ptm -119.74 118.48 30.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 32' ' ' ILE . 26.0 p90 -119.57 158.27 49.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.95 125.11 9.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.51 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . 94.3 p -73.3 -5.19 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -87.52 10.15 18.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.46 34.47 3.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.11 -173.13 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HD2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -149.36 99.03 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.0 mp0 -39.94 157.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 11' ' ' GLN . 4.9 mt -145.04 117.2 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -67.52 155.91 37.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.14 161.99 31.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.91 5.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 p -125.42 157.47 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.36 110.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.32 144.05 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m 57.85 109.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.4 71.34 0.61 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p 49.22 85.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 0.729 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -114.65 98.37 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.9 93.48 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.37 151.64 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.3 143.6 51.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.2 m -149.17 148.32 29.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.1 tt0 -99.86 150.84 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 59' ' ' ILE . 25.4 t -95.12 136.0 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -107.83 -22.08 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -134.29 128.48 33.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 28' ' ' VAL . 57.9 m -63.98 130.19 43.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' C ' HD22 ' A' ' 17' ' ' LEU . 13.5 t80 -121.82 124.41 44.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -99.72 130.89 25.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -75.0 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.23 7.38 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.34 178.09 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -103.94 31.12 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -149.64 20.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -113.36 174.18 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -106.87 147.85 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.05 99.4 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 32' ' ' ILE . 17.0 mt -74.75 145.6 42.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' VAL . 9.4 mttt -136.1 119.92 17.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.65 HG23 ' OG ' ' A' ' 15' ' ' SER . 95.3 t -36.54 102.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.32 23.19 6.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.873 ' OD2' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -91.05 153.07 20.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.2 mt -125.82 88.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.873 HD12 ' OD2' ' A' ' 30' ' ' ASP . 1.1 mt -80.37 140.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 35' ' ' VAL . 2.7 mt-10 -93.47 73.3 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLU . 98.9 t -39.74 117.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 33' ' ' GLU . 16.2 m -100.32 -47.62 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -146.04 -151.05 5.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.62 136.18 25.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 53' ' ' MET . 12.9 t -82.61 -70.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' TRP . 10.4 pt-20 -148.52 172.61 14.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.46 113.19 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.21 -12.75 67.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 75.7 m95 -121.35 127.48 51.29 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 42.0 m0 -119.69 163.92 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 107.973 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.57 131.8 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.6 -168.78 27.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.736 HG22 ' HG1' ' A' ' 51' ' ' THR . 38.3 t -114.95 163.88 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.52 HD13 ' OD1' ' A' ' 30' ' ' ASP . 10.2 tp -120.29 -76.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.87 44.82 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.13 -10.02 56.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -90.34 -158.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.736 ' HG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -171.78 149.19 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.369 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.519 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 171.84 166.06 29.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -82.86 129.07 34.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.06 156.03 80.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 133.48 16.67 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.552 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 15.3 p -88.99 5.31 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.92 9.97 40.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.03 31.45 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.608 HG22 HG22 ' A' ' 12' ' ' VAL . 2.6 pp -141.88 -171.81 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -150.38 106.1 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.1 mp0 -53.08 165.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 11' ' ' GLN . 2.5 mt -142.86 109.01 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.69 92.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.94 174.1 49.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 93.53 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.2 p -175.99 132.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.0 p -123.18 147.86 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.18 160.53 18.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -155.21 166.65 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -99.54 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.05 71.29 2.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 0.768 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -163.61 136.47 5.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.62 125.77 2.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' VAL . 80.9 mtt180 -104.33 160.4 14.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -126.26 142.73 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 m -149.91 150.98 32.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.274 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HB2' HD11 ' A' ' 62' ' ' LEU . 5.6 tt0 -104.27 164.19 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.835 HG11 ' HB3' ' A' ' 26' ' ' LEU . 53.4 t -100.96 133.24 44.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' C ' HG22 ' A' ' 28' ' ' VAL . . . -108.87 -15.71 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.7 m-85 -134.49 134.5 41.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.699 ' N ' HG23 ' A' ' 28' ' ' VAL . 99.9 p -69.31 142.44 54.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.734 ' CB ' HD12 ' A' ' 26' ' ' LEU . 27.8 t80 -142.93 129.53 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -102.92 130.04 24.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.2 Cg_endo -75.01 116.5 4.6 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.65 4.87 14.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -142.17 176.46 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -99.89 32.2 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.48 17.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' CD ' ' HH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -116.05 171.46 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 47' ' ' LEU . 15.4 mt -100.68 148.11 25.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -106.08 97.84 7.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.835 ' HB3' HG11 ' A' ' 12' ' ' VAL . 6.8 mt -81.09 138.36 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -135.58 45.34 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' N ' ' A' ' 15' ' ' SER . 4.0 t 37.27 94.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.22 37.85 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.787 ' OD2' HD11 ' A' ' 47' ' ' LEU . 31.7 m-20 -122.75 140.5 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mt -106.51 112.3 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.4 mt -102.0 112.03 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' VAL . 2.9 mt-10 -66.37 78.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ARG . 93.3 t -37.68 113.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 36' ' ' GLY . 9.3 p -101.45 -47.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -151.72 -167.67 15.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' TRP . 1.9 tm-20 -135.81 129.89 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.92 -72.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 11.6 pt-20 -143.3 164.85 29.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.57 120.14 3.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 94.96 -14.99 64.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 79.2 m95 -124.92 130.19 51.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 37' ' ' GLU . 42.9 m0 -119.39 175.17 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -128.42 126.52 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -153.08 -172.31 21.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG13 ' C ' ' A' ' 49' ' ' GLY . 2.2 t -119.3 128.34 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.787 HD11 ' OD2' ' A' ' 30' ' ' ASP . 36.9 tp -102.57 109.75 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 13.2 p30 47.91 24.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.547 ' C ' HG13 ' A' ' 46' ' ' VAL . . . 116.89 -43.66 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.9 tptt -61.07 156.18 18.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -122.18 146.01 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.512 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 173.56 151.15 7.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.0 ptm -82.22 133.41 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CE1' HG21 ' A' ' 32' ' ' ILE . 46.7 p90 -135.39 160.95 66.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.04 129.7 12.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -84.49 8.95 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -103.28 14.85 30.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -143.15 39.08 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.6 -172.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 106.28 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' C ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 mp0 -54.58 165.9 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 11' ' ' GLN . 3.7 mt -144.33 -177.05 5.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -179.15 161.19 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.02 -174.29 13.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t 61.73 159.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -126.32 -58.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -139.95 151.35 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.62 78.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.87 -70.16 2.78 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -112.81 89.84 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -125.4 114.54 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 83.15 0.44 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -78.3 126.24 30.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.1 131.56 36.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 26.1 m -135.25 148.38 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.612 ' HB2' HD11 ' A' ' 62' ' ' LEU . 8.6 tt0 -99.99 147.18 25.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 26' ' ' LEU . 45.5 t -93.18 117.82 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . . . -89.86 -21.11 22.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m-85 -133.37 121.01 21.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 p -62.34 134.09 55.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CB ' HD12 ' A' ' 26' ' ' LEU . 41.2 t80 -126.03 140.95 52.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 25' ' ' GLU . 15.3 mt -111.1 130.01 23.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.4 Cg_endo -74.95 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 0.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -81.1 8.21 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -140.0 -178.18 5.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -106.04 31.74 4.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -148.83 19.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 1.2 mt-10 -115.74 169.26 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 8.2 mt -104.39 148.61 26.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.688 ' O ' HD21 ' A' ' 47' ' ' LEU . 40.0 tt0 -102.66 99.88 9.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.751 HD11 ' HD2' ' A' ' 55' ' ' PRO . 8.1 mt -76.94 140.62 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -138.53 119.06 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' LYS . 98.7 t -35.06 100.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 109.92 30.09 3.57 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -109.05 144.16 37.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 0.71 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 20.1 mt -117.27 112.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.5 mt -104.66 119.69 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -74.09 77.78 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLU . 24.0 t -39.38 111.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 44' ' ' GLU . 13.1 p -92.17 -44.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.09 178.01 26.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.13 102.7 10.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' A' ' 44' ' ' GLU . 7.5 m -53.5 -61.89 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.678 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.8 pt-20 -163.47 -173.04 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 124.88 25.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.38 -0.32 85.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.647 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 43.5 m95 -142.36 162.58 35.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.71 ' CA ' HG22 ' A' ' 38' ' ' VAL . 17.7 m0 -151.61 178.21 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.874 ' HB2' HG13 ' A' ' 38' ' ' VAL . 11.0 tt0 -132.24 129.02 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.79 -170.9 23.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.599 HG22 ' HG1' ' A' ' 51' ' ' THR . 2.4 t -110.32 156.86 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD21 ' O ' ' A' ' 25' ' ' GLU . 60.6 tp -140.69 91.83 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 55.89 49.49 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.99 -27.92 8.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -72.24 175.84 5.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.599 ' HG1' HG22 ' A' ' 46' ' ' VAL . 18.6 m -155.19 160.73 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 160.39 -171.91 36.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.821 ' HB3' HG11 ' A' ' 38' ' ' VAL . 6.1 ptm -112.8 118.62 35.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CE1' HG21 ' A' ' 32' ' ' ILE . 45.2 p90 -115.01 157.31 43.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 131.14 13.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 12.4 t -87.68 15.2 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -109.97 14.49 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -143.69 36.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.5 pp -140.53 -172.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.653 ' HE2' ' HB2' ' A' ' 13' ' ' ALA . 11.3 pttt -149.89 105.71 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.369 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 pt-20 -50.06 170.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 11' ' ' GLN . 11.8 mt -146.5 130.76 17.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.9 p -168.47 112.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 149.62 -176.76 28.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 110.31 3.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m 64.92 128.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 p -59.49 139.8 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.058 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 60.42 101.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.24 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.78 -61.31 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 100.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.02 148.44 41.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.0 120.21 3.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.471 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -123.19 153.13 40.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.774 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -127.2 143.77 51.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' SG ' HG21 ' A' ' 34' ' ' VAL . 6.0 m -149.87 145.49 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 62' ' ' LEU . 27.1 tt0 -107.83 116.96 32.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.921 ' HA ' HG22 ' A' ' 59' ' ' ILE . 70.7 t -55.48 141.23 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.719 ' HA ' HG23 ' A' ' 28' ' ' VAL . . . -119.18 -4.25 10.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.9 m-85 -152.05 119.63 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 95.7 p -61.18 127.3 30.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -116.72 123.12 46.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -90.71 123.07 66.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 18.3 Cg_endo -74.98 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.33 0.68 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -130.2 -175.52 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.1 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -138.7 12.95 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 18' ' ' PRO . 5.5 mt-10 -109.42 153.72 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 9.7 mt -87.59 145.41 26.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.513 ' O ' HD21 ' A' ' 47' ' ' LEU . 48.5 tt0 -99.11 98.94 9.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' HD2' ' A' ' 55' ' ' PRO . 18.7 mt -72.56 151.02 42.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' O ' ' C ' ' A' ' 28' ' ' VAL . 5.1 mtpt -150.88 96.66 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' ' 13' ' ' ALA . 3.6 p -28.85 100.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 127.97 -3.67 6.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' OD2' HD11 ' A' ' 47' ' ' LEU . 64.3 m-20 -98.15 139.93 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.674 ' H ' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -105.74 124.12 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.9 mt -107.59 118.42 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 35' ' ' VAL . 1.7 mt-10 -70.19 74.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 8' ' ' ARG . 61.8 t -39.56 110.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 33' ' ' GLU . 32.6 m -93.89 -44.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.41 -155.87 7.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -145.08 138.82 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 53' ' ' MET . 10.6 t -89.29 -71.72 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.76 161.76 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.36 142.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . 61.75 17.26 53.9 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 67.8 m95 -151.91 131.69 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CD2' ' HB3' ' A' ' 56' ' ' SER . 46.0 m0 -124.51 175.85 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 107.993 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -126.62 123.36 37.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.53 -169.97 19.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG22 ' OG1' ' A' ' 51' ' ' THR . 2.2 t -113.6 164.43 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 48' ' ' ASN . 28.3 tp -152.39 106.53 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 10.6 p30 50.91 21.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.39 -23.23 23.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 47' ' ' LEU . 3.8 tttp -77.71 131.55 37.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.76 ' OG1' HG22 ' A' ' 46' ' ' VAL . 3.0 m -113.22 154.12 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 168.0 -168.6 40.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.811 ' HB3' HG21 ' A' ' 38' ' ' VAL . 9.4 ptm -110.97 121.12 44.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' HB2' HD21 ' A' ' 26' ' ' LEU . 18.4 p90 -124.49 158.94 59.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.887 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.508 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.3 p -99.96 5.47 45.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -90.74 -32.85 15.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -89.04 25.34 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.921 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.7 pp -140.31 -171.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 104.03 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -46.74 159.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -142.56 133.52 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -169.96 171.94 6.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.17 171.7 18.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 139.44 24.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -80.23 -58.42 3.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.61 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -126.14 127.36 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.049 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.86 157.94 44.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.09 77.25 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -108.78 132.42 54.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.27 89.33 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.59 -131.62 6.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.35 144.16 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 4.6 mtm180 -119.38 142.78 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 9' ' ' ARG . 6.2 m -150.46 147.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.523 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.4 tt0 -99.89 148.45 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.298 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 26' ' ' LEU . 52.5 t -90.53 119.59 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . . . -94.54 -24.95 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 2.3 m-85 -133.11 120.35 21.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 18.2 p -62.57 141.4 58.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' CB ' HD12 ' A' ' 26' ' ' LEU . 32.8 t80 -134.68 120.82 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.643 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.65 126.86 58.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . 18.1 Cg_endo -75.06 114.15 3.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -74.79 0.44 15.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.66 -174.08 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -110.14 23.75 13.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -136.34 11.58 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . 5.0 mt-10 -109.05 161.45 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.2 mt -94.45 147.71 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.668 ' O ' HD21 ' A' ' 47' ' ' LEU . 39.0 tt0 -100.53 98.5 9.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 55' ' ' PRO . 17.1 mt -73.58 135.65 43.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' VAL . 3.0 mtpt -138.25 117.6 12.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' LYS . 88.5 t -35.96 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.74 -36.37 3.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.713 ' OD2' HD11 ' A' ' 47' ' ' LEU . 1.6 m-20 -53.69 141.82 25.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mt -119.41 116.89 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG21 ' CE1' ' A' ' 54' ' ' PHE . 3.0 mt -97.27 137.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -92.67 78.26 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 16.7 t -40.04 109.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 44' ' ' GLU . 19.0 m -88.51 -39.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.01 -161.67 10.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.133 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.8 tt0 -129.82 105.25 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.784 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 53' ' ' MET . 16.2 m -58.65 -58.97 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 38' ' ' VAL . 3.9 pt-20 -166.18 -172.79 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.62 122.93 20.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' PRO . . . 90.62 -4.09 81.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m95 -139.29 163.35 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.672 ' CA ' HG22 ' A' ' 38' ' ' VAL . 22.6 m0 -150.38 -176.61 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.07 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.736 ' HB2' HG13 ' A' ' 38' ' ' VAL . 1.2 tt0 -134.99 120.35 19.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA3' ' CG2' ' A' ' 32' ' ' ILE . . . -149.86 -171.18 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 47' ' ' LEU . 2.0 t -111.08 163.39 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' OD2' ' A' ' 30' ' ' ASP . 55.8 tp -147.37 111.34 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 12.6 p30 48.38 23.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 47' ' ' LEU . . . 111.96 -33.03 5.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -66.71 171.95 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 46' ' ' VAL . 1.1 m -140.37 164.63 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . 154.78 174.97 25.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.803 ' HB3' HG11 ' A' ' 38' ' ' VAL . 2.1 ptp -101.55 127.0 48.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 32' ' ' ILE . 32.6 p90 -122.19 158.98 53.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.741 ' HD2' HD11 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.95 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 15.6 p -84.22 8.59 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -106.42 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -151.38 35.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 HG22 ' HA ' ' A' ' 12' ' ' VAL . 2.6 pp -140.78 -172.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -148.88 105.16 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -49.74 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 11' ' ' GLN . 9.2 mt -143.33 140.95 30.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -114.76 107.99 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.44 -178.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.76 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.5 t -153.71 -57.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m 63.09 98.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.94 . . . . . . . . 0 0 . 1 stop_ save_